A0A077ZFL9_TRITR Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed to be not involved in catalysis. Required for proper complex I assembly. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A077ZFL9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077ZFL9_TRITR|A0A077ZFL9
MSFRVGTQLTGKTFTKSVKPIVSRSPEEARCRVLAVYKRWTKFIPTLNYLYPKLHDAIKAQFMQNAHIRDIRIIDMLVHKAEQELYSVEQAWTPGNVLLNVLFGEYKEKKPTDFMSKFLSGQN
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.2	Very low	50.8	Low	246 Å²	246	154.2 Å²	154.2	100%	1.212	85%	0.849	S	S	*	*				0	109.2	0	-69.9	178.4	-166.3	0	0	109
2	S	49.7	Very low	51.6	Low	122 Å²	122	158.4 Å²	158.4	85%	0.853	85%	0.852	S	S	*	*			trans	178.7	122.6	133.1	-164.7	0	0	0	0	108
3	F	46.4	Very low	52.5	Low	205 Å²	205	156 Å²	156	90%	0.899	85%	0.847	S	S	*	*			trans	-85.4	148.1	-170.2	-84.8	-105	0	0	0	112.1
4	R	45.8	Very low	52.9	Low	241 Å²	241	158.5 Å²	158.5	91%	0.909	85%	0.846	S	S	*	*			trans	-61.2	138.1	173.7	-155.1	-177.5	-146.3	168.8	4	111.2
5	V	58.7	Low	54.1	Low	150 Å²	150	155.5 Å²	155.5	91%	0.909	84%	0.836	S	S	*	*			trans	-122.5	100.9	155	-177.5	0	0	0	0	107.8
6	G	48.6	Very low	55.4	Low	45 Å²	45	157.2 Å²	157.2	46%	0.464	83%	0.834	S	S	.	*			trans	-89.4	150.1	169.4	0	0	0	0	0	111.6
7	T	49.3	Very low	56.9	Low	125 Å²	125	155.4 Å²	155.4	77%	0.767	84%	0.837	S	S	*	*			trans	63	117.4	140	50.9	0	0	0	0	119.9
8	Q	56	Low	58.3	Low	185 Å²	185	151.3 Å²	151.3	86%	0.864	82%	0.818	S	S	*	*				-138.6	109.5	123.7	-67.4	-74.7	-10.9	0	0	107.1	T10	Q8-T10 PolarHBondContact O-N 3.41Å
9	L	50.7	Low	59.8	Low	166 Å²	166	153 Å²	153	87%	0.869	82%	0.817	S	S	*	*			trans	-76.1	109	166.8	-72.9	169.1	0	0	0	107.2	G11	L9-G11 PolarHBondContact O-N 3.24Å; L9-G11 VanDerWaalsContact O-N 3.13Å
10	T	55.2	Low	61.2	Low	140 Å²	140	148.6 Å²	148.6	86%	0.859	80%	0.797	S	S	*	*			trans	-64.2	108.9	175.8	0	0	0	0	0	109.5	Q8 K12	Q8-T10 PolarHBondContact O-N 3.41Å; T10-K12 PolarHBondContact O-N 3.45Å; T10-K12 VanDerWaalsContact O-N 3.08Å
11	G	54.7	Low	62.5	Low	71 Å²	71	146 Å²	146	73%	0.732	78%	0.782	S	S	*	*			trans	-60.5	110.3	173.3	0	0	0	0	0	110.5	L9 T13	L9-G11 PolarHBondContact O-N 3.24Å; L9-G11 VanDerWaalsContact O-N 3.13Å; G11-T13 PolarHBondContact O-N 3.19Å; G11-T13 VanDerWaalsContact O-N 3.15Å
12	K	60	Low	64.9	Low	205 Å²	205	137.5 Å²	137.5	89%	0.891	74%	0.744	S	S	*	*			trans	-78.5	95.9	176.8	-157	176.4	-170.4	177.5	0	108.3	T10 F14	T10-K12 PolarHBondContact O-N 3.45Å; T10-K12 VanDerWaalsContact O-N 3.08Å; K12-F14 PolarHBondContact O-N 3.1Å; K12-F14 VanDerWaalsContact O-N 3.08Å
13	T	63.8	Low	67	Low	127 Å²	127	131.7 Å²	131.7	78%	0.779	70%	0.703	S	S	*	*			trans	-63.4	109.9	174.4	-26.9	0	0	0	0	108.8	G11 T15	G11-T13 PolarHBondContact O-N 3.19Å; G11-T13 VanDerWaalsContact O-N 3.15Å; T13-T15 PolarHBondContact O-N 3.13Å; T13-T15 VanDerWaalsContact O-N 3.13Å
14	F	57.6	Low	69.2	Low	191 Å²	191	132 Å²	132	84%	0.838	70%	0.698	S	S	*	*			trans	-79.4	94.2	175.3	-163.5	-93.9	0	0	0	108.7	K12	K12-F14 PolarHBondContact O-N 3.1Å; K12-F14 VanDerWaalsContact O-N 3.08Å
15	T	70.9	Confident	71.5	Confident	114 Å²	114	122.3 Å²	122.3	70%	0.699	67%	0.668	S	S	*	*			trans	-77.1	128.2	168.5	51.5	0	0	0	0	108.3	T13 S17	T13-T15 PolarHBondContact O-N 3.13Å; T13-T15 VanDerWaalsContact O-N 3.13Å; T15-S17 PolarHBondContact O-N 2.92Å; T15-S17 VanDerWaalsContact O-N 3.11Å
16	K	75.6	Confident	73.2	Confident	182 Å²	182	118.6 Å²	118.6	79%	0.791	65%	0.646	S	S	*	*			trans	-60.6	117.7	169.1	-69.2	-175.5	179.8	-179	0	107.2	V18	K16-V18 PolarHBondContact O-N 3.4Å; K16-V18 VanDerWaalsContact O-N 3.14Å
17	S	79.5	Confident	75.5	Confident	127 Å²	127	122.2 Å²	122.2	89%	0.888	65%	0.651	S	S	*	*			trans	-65.8	112.3	173.4	-175.6	0	0	0	0	108.4	T15	T15-S17 PolarHBondContact O-N 2.92Å; T15-S17 VanDerWaalsContact O-N 3.11Å
18	V	83.7	Confident	77.7	Confident	82 Å²	82	120 Å²	120	50%	0.497	63%	0.632	S	S	.	*			trans	-108.5	136.2	175.4	-174.8	0	0	0	0	108.5	K16	K16-V18 PolarHBondContact O-N 3.4Å; K16-V18 VanDerWaalsContact O-N 3.14Å
19	K	86.3	Confident	79.7	Confident	183 Å²	183	111.1 Å²	111.1	80%	0.796	59%	0.591	S	S	*	*			trans	-59.1	125.2	175.5	-172.8	-180	176.3	-178.3	0	109.7
20	P	87.3	Confident	81.9	Confident	64 Å²	64	111.8 Å²	111.8	42%	0.416	58%	0.582	S	S	.	*			trans	-65.1	149.2	172.4	27.3	-33.1	0	0	0	110.1	S23	P20-S23 WeakPolarHBondContact CB-O 3.33Å
21	I	89.4	Confident	83.9	Confident	96 Å²	96	109.1 Å²	109.1	49%	0.492	57%	0.568	S	S	.	*	S	Bend	trans	-77.2	-58.4	178	-55.1	176.6	0	0	0	108.7	R72 D75 M76	I21-R72 HydrophobicContact CD1-CB 3.9Å; I21-R72 HydrophobicContact CG1-CB 4.27Å; I21-R72 HydrophobicContact CG1-CG 4.37Å; I21-D75 HydrophobicContact CB-CB 4.31Å; I21-M76 HydrophobicContact CD1-CG 3.71Å; I21-M76 HydrophobicContact CD1-SD 4.18Å
22	V	93.6	Very high	85.9	Confident	66 Å²	66	109 Å²	109	40%	0.4	55%	0.545	S	S	.	.	S	Bend	trans	-131.7	-58.3	176.8	-171.3	0	0	0	0	110.8	R32 D75	V22-R32 VanDerWaalsContact CG1-NH1 3.31Å; V22-D75 PolarHBondContact N-OD2 3.41Å
23	S	93.7	Very high	87.7	Confident	1 Å²	1	101.3 Å²	101.3	1%	0.007	52%	0.515	C	S	.	.			trans	-79.8	135.3	-173.2	-57.7	0	0	0	0	111.7	P20 A29 R32 D75	P20-S23 WeakPolarHBondContact CB-O 3.33Å; S23-A29 WeakPolarHBondContact OG-CA 3.3Å; S23-A29 PolarHBondContact OG-N 3.38Å; S23-R32 VanDerWaalsContact OG-CD 3.25Å; S23-R32 WeakPolarHBondContact OG-CD 3.45Å; S23-D75 WeakPolarHBondContact CB-OD1 3.44Å; S23-D75 PolarHBondContact N-OD2 2.96Å; S23-D75 PolarHBondContact OG-OD1 3.41Å
24	R	92.6	Very high	89.3	Confident	212 Å²	212	98.9 Å²	98.9	80%	0.8	50%	0.497	S	S	*	.	S	Bend	trans	-92.8	-24.8	177.6	-60	178.2	-175.1	179.6	1.5	112.4	E28	R24-E28 PolarHBondContact N-OE2 2.86Å
25	S	93.9	Very high	91.2	Very high	37 Å²	37	92.5 Å²	92.5	26%	0.259	48%	0.48	S	S	.	.	S	Bend	trans	-133.4	158	-178.7	95.5	0	0	0	0	111.4	E27 E28 A29	S25-E27 WeakPolarHBondContact CB-OE2 3.46Å; S25-E27 PolarHBondContact O-N 3.31Å; S25-E27 PolarHBondContact OG-N 3.42Å; S25-E27 PolarHBondContact OG-OE2 2.99Å; S25-E28 PolarHBondContact O-N 2.73Å; S25-E28 PolarHBondContact OG-N 3.45Å; S25-A29 PolarHBondContact O-N 3.39Å
26	P	94.7	Very high	92.5	Very high	72 Å²	72	87.3 Å²	87.3	47%	0.468	45%	0.448	S	S	.	.	H	α-helix	trans	-65.9	-27.7	176.8	26.3	-32	0	0	0	112.6	R30 I71	P26-R30 WeakPolarHBondContact O-CB 3.46Å; P26-R30 PolarHBondContact O-N 3.31Å; P26-I71 HydrophobicContact CB-CD1 4.37Å; P26-I71 HydrophobicContact CB-CG1 4.41Å
27	E	96.7	Very high	93.5	Very high	120 Å²	120	81.4 Å²	81.4	56%	0.561	42%	0.421	S	S	*	.	H	α-helix	trans	-66.4	-43.6	174.7	-58.2	72.1	-153.9	0	0	111.2	S25 R30 C31	S25-E27 WeakPolarHBondContact CB-OE2 3.46Å; S25-E27 PolarHBondContact O-N 3.31Å; S25-E27 PolarHBondContact OG-N 3.42Å; S25-E27 PolarHBondContact OG-OE2 2.99Å; E27-R30 PolarHBondContact O-N 3.17Å; E27-C31 PolarHBondContact O-N 2.94Å; E27-C31 PolarHBondContact O-SG 3.23Å; E27-C31 VanDerWaalsContact O-SG 3.33Å
28	E	96.4	Very high	94.4	Very high	78 Å²	78	81.9 Å²	81.9	36%	0.364	41%	0.407	S	S	.	.	H	α-helix	trans	-61.8	-46.1	176.1	-172.5	180	-173.2	0	0	111	R24 S25 R30 C31 R32	R24-E28 PolarHBondContact N-OE2 2.86Å; S25-E28 PolarHBondContact O-N 2.73Å; S25-E28 PolarHBondContact OG-N 3.45Å; E28-R30 VanDerWaalsContact C-N 3.34Å; E28-R30 PolarHBondContact O-N 3.24Å; E28-C31 WeakPolarHBondContact O-CB 3.47Å; E28-C31 PolarHBondContact O-N 3.03Å; E28-R32 WeakPolarHBondContact O-CG 3.18Å; E28-R32 PolarHBondContact O-N 3.33Å
29	A	96.7	Very high	95	Very high	0 Å²	0	83.1 Å²	83.1	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-59.5	-43.7	175.1	0	0	0	0	0	112	S23 S25 C31 R32 V33 I71 I74	S23-A29 WeakPolarHBondContact OG-CA 3.3Å; S23-A29 PolarHBondContact OG-N 3.38Å; S25-A29 PolarHBondContact O-N 3.39Å; A29-C31 PolarHBondContact O-N 3.16Å; A29-R32 WeakPolarHBondContact O-CB 3.06Å; A29-R32 PolarHBondContact O-N 3.44Å; A29-V33 WeakPolarHBondContact O-CG2 3.14Å; A29-V33 PolarHBondContact O-N 2.7Å; A29-I71 HydrophobicContact CB-CG2 4.16Å; A29-I74 HydrophobicContact CB-CB 4.49Å; A29-I74 HydrophobicContact CB-CG2 3.98Å
30	R	97	Very high	95.4	Very high	180 Å²	180	75.2 Å²	75.2	68%	0.679	37%	0.368	S	S	*	.	H	α-helix	trans	-61.3	-43	175.5	-178.6	-179.6	173.5	126.8	-1.1	111.8	P26 E27 E28 R32 V33 L34	P26-R30 WeakPolarHBondContact O-CB 3.46Å; P26-R30 PolarHBondContact O-N 3.31Å; E27-R30 PolarHBondContact O-N 3.17Å; E28-R30 VanDerWaalsContact C-N 3.34Å; E28-R30 PolarHBondContact O-N 3.24Å; R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 2.85Å; R30-V33 PolarHBondContact O-N 2.97Å; R30-L34 HydrophobicContact CG-CD1 4.26Å; R30-L34 WeakPolarHBondContact O-CG 3.38Å; R30-L34 PolarHBondContact O-N 3.5Å
31	C	97.5	Very high	95.7	Very high	84 Å²	84	74.4 Å²	74.4	57%	0.568	36%	0.362	S	S	*	.	H	α-helix	trans	-59.6	-41.8	175.8	-74.9	0	0	0	0	111.7	E27 E28 A29 L34 A35	E27-C31 PolarHBondContact O-N 2.94Å; E27-C31 PolarHBondContact O-SG 3.23Å; E27-C31 VanDerWaalsContact O-SG 3.33Å; E28-C31 WeakPolarHBondContact O-CB 3.47Å; E28-C31 PolarHBondContact O-N 3.03Å; A29-C31 PolarHBondContact O-N 3.16Å; C31-L34 PolarHBondContact O-N 2.97Å; C31-A35 WeakPolarHBondContact O-CB 3.38Å; C31-A35 PolarHBondContact O-N 3.22Å
32	R	97.3	Very high	96	Very high	67 Å²	67	78 Å²	78	25%	0.253	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-46.7	175.6	-67.4	173.6	64.8	81.1	9.2	112.2	V22 S23 E28 A29 R30 L34 A35 V36 D75 V78	V22-R32 VanDerWaalsContact CG1-NH1 3.31Å; S23-R32 VanDerWaalsContact OG-CD 3.25Å; S23-R32 WeakPolarHBondContact OG-CD 3.45Å; E28-R32 WeakPolarHBondContact O-CG 3.18Å; E28-R32 PolarHBondContact O-N 3.33Å; A29-R32 WeakPolarHBondContact O-CB 3.06Å; A29-R32 PolarHBondContact O-N 3.44Å; R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 2.85Å; R32-L34 VanDerWaalsContact C-N 3.29Å; R32-L34 PolarHBondContact O-N 3.35Å; R32-A35 WeakPolarHBondContact O-CB 3.38Å; R32-A35 PolarHBondContact O-N 3.26Å; R32-A35 VanDerWaalsContact O-N 3.11Å; R32-V36 WeakPolarHBondContact O-CG2 3.36Å; R32-V36 PolarHBondContact O-N 3.06Å; R32-D75 IonicContact NE-OD1 3.87Å; R32-V78 HydrophobicContact CB-CG1 4.1Å
33	V	97.7	Very high	95.9	Very high	44 Å²	44	76.5 Å²	76.5	27%	0.267	36%	0.362	S	S	.	.	H	α-helix	trans	-55	-46.8	175	173.6	0	0	0	0	110.8	A29 R30 A35 V36 Y37 F62 I74 V78	A29-V33 WeakPolarHBondContact O-CG2 3.14Å; A29-V33 PolarHBondContact O-N 2.7Å; R30-V33 PolarHBondContact O-N 2.97Å; V33-A35 PolarHBondContact O-N 3.32Å; V33-V36 PolarHBondContact O-N 2.86Å; V33-Y37 WeakPolarHBondContact O-CB 3.38Å; V33-Y37 PolarHBondContact O-N 2.97Å; V33-F62 HydrophobicContact CG1-CD1 4.11Å; V33-F62 HydrophobicContact CG1-CE1 4.2Å; V33-I74 HydrophobicContact CG2-CG2 3.53Å; V33-V78 HydrophobicContact CB-CG2 4.31Å; V33-V78 HydrophobicContact CG2-CG2 3.41Å; V33-V78 VanDerWaalsContact CG2-CG2 3.41Å
34	L	97.5	Very high	95.8	Very high	77 Å²	77	76.9 Å²	76.9	40%	0.403	36%	0.364	S	S	.	.	H	α-helix	trans	-66.4	-35.4	178.6	-69.5	174.9	0	0	0	112.7	R30 C31 R32 K38	R30-L34 HydrophobicContact CG-CD1 4.26Å; R30-L34 WeakPolarHBondContact O-CG 3.38Å; R30-L34 PolarHBondContact O-N 3.5Å; C31-L34 PolarHBondContact O-N 2.97Å; R32-L34 VanDerWaalsContact C-N 3.29Å; R32-L34 PolarHBondContact O-N 3.35Å; L34-K38 WeakPolarHBondContact O-CB 3.32Å; L34-K38 VanDerWaalsContact O-CG 3.24Å; L34-K38 WeakPolarHBondContact O-CG 3.48Å; L34-K38 PolarHBondContact O-N 3.09Å
35	A	97.8	Very high	95.6	Very high	57 Å²	57	71 Å²	71	47%	0.471	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-46.4	175.9	0	0	0	0	0	111.3	C31 R32 V33 K38 R39	C31-A35 WeakPolarHBondContact O-CB 3.38Å; C31-A35 PolarHBondContact O-N 3.22Å; R32-A35 WeakPolarHBondContact O-CB 3.38Å; R32-A35 PolarHBondContact O-N 3.26Å; R32-A35 VanDerWaalsContact O-N 3.11Å; V33-A35 PolarHBondContact O-N 3.32Å; A35-K38 PolarHBondContact O-N 3.24Å; A35-R39 PolarHBondContact O-N 3.39Å
36	V	97.6	Very high	95.3	Very high	4 Å²	4	73.7 Å²	73.7	2%	0.024	37%	0.368	C	S	.	.	H	α-helix	trans	-64.6	-45.7	176.9	179.2	0	0	0	0	110.8	R32 V33 K38 R39 W40 F62 V78 A81 E82	R32-V36 WeakPolarHBondContact O-CG2 3.36Å; R32-V36 PolarHBondContact O-N 3.06Å; V33-V36 PolarHBondContact O-N 2.86Å; V36-K38 VanDerWaalsContact C-N 3.34Å; V36-K38 PolarHBondContact O-N 3.3Å; V36-R39 WeakPolarHBondContact O-CB 3.04Å; V36-R39 PolarHBondContact O-N 3.28Å; V36-W40 VanDerWaalsContact O-CD1 3.28Å; V36-W40 PolarHBondContact O-N 3.5Å; V36-F62 HydrophobicContact CG1-CZ 4.22Å; V36-V78 HydrophobicContact CG2-CG1 3.76Å; V36-A81 HydrophobicContact CG1-CB 3.87Å; V36-E82 HydrophobicContact CB-CG 4.44Å; V36-E82 HydrophobicContact CG1-CG 4.12Å; V36-E82 HydrophobicContact CG2-CG 3.41Å; V36-E82 VanDerWaalsContact CG2-CG 3.41Å; V36-E82 WeakPolarHBondContact CG2-OE1 3.23Å
37	Y	97.3	Very high	94.8	Very high	58 Å²	58	72 Å²	72	23%	0.227	36%	0.355	C	S	.	.	H	α-helix	trans	-56.8	-45.6	175.5	-179.2	-104.4	0	0	0	112.1	V33 R39 W40 T41 F62	V33-Y37 WeakPolarHBondContact O-CB 3.38Å; V33-Y37 PolarHBondContact O-N 2.97Å; Y37-R39 VanDerWaalsContact C-N 3.31Å; Y37-R39 PolarHBondContact O-N 2.8Å; Y37-W40 WeakPolarHBondContact O-CB 3.39Å; Y37-W40 PolarHBondContact O-N 3.27Å; Y37-T41 PolarHBondContact O-N 3.35Å; Y37-T41 PolarHBondContact O-OG1 2.93Å; Y37-T41 VanDerWaalsContact O-OG1 3.06Å; Y37-F62 HydrophobicContact CD2-CD1 4.19Å; Y37-F62 AromaticContact CD2-CD2 3.86Å; Y37-F62 HydrophobicContact CD2-CD2 3.86Å; Y37-F62 HydrophobicContact CD2-CE1 4.33Å; Y37-F62 HydrophobicContact CD2-CE2 4.01Å; Y37-F62 AromaticContact CD2-CG 3.95Å; Y37-F62 HydrophobicContact CD2-CG 3.95Å; Y37-F62 HydrophobicContact CD2-CZ 4.24Å; Y37-F62 HydrophobicContact CE2-CD2 4.46Å
38	K	97.2	Very high	93.6	Very high	137 Å²	137	69.6 Å²	69.6	60%	0.596	35%	0.346	S	S	*	.	H	α-helix	trans	-61.1	-37.7	175.3	-76	175	-176.2	-177.8	0	112.5	L34 A35 V36 T41 K42	L34-K38 WeakPolarHBondContact O-CB 3.32Å; L34-K38 VanDerWaalsContact O-CG 3.24Å; L34-K38 WeakPolarHBondContact O-CG 3.48Å; L34-K38 PolarHBondContact O-N 3.09Å; A35-K38 PolarHBondContact O-N 3.24Å; V36-K38 VanDerWaalsContact C-N 3.34Å; V36-K38 PolarHBondContact O-N 3.3Å; K38-T41 PolarHBondContact O-N 3.27Å; K38-K42 WeakPolarHBondContact O-CG 3.32Å; K38-K42 PolarHBondContact O-N 3.15Å
39	R	97.1	Very high	92.5	Very high	109 Å²	109	75 Å²	75	41%	0.411	36%	0.364	S	S	.	.	H	α-helix	trans	-65.8	-44.5	177	-163	-174.2	160.2	169.9	1.7	110.9	A35 V36 Y37 K42 F43 L85 E89	A35-R39 PolarHBondContact O-N 3.39Å; V36-R39 WeakPolarHBondContact O-CB 3.04Å; V36-R39 PolarHBondContact O-N 3.28Å; Y37-R39 VanDerWaalsContact C-N 3.31Å; Y37-R39 PolarHBondContact O-N 2.8Å; R39-K42 PolarHBondContact O-N 3.05Å; R39-F43 PolarHBondContact O-N 3.2Å; R39-F43 VanDerWaalsContact O-N 3.09Å; R39-L85 HydrophobicContact CB-CD2 3.85Å; R39-L85 VanDerWaalsContact CD-CD2 3.49Å; R39-L85 HydrophobicContact CG-CD2 3.56Å; R39-E89 IonicContact CZ-OE1 3.72Å; R39-E89 IonicContact CZ-OE2 3.43Å; R39-E89 IonicContact NE-OE1 3.59Å; R39-E89 PolarHBondContact NE-OE1 2.98Å; R39-E89 VanDerWaalsContact NE-OE1 3.11Å; R39-E89 IonicContact NH2-OE1 2.69Å; R39-E89 PolarHBondContact NH2-OE1 3.25Å; R39-E89 IonicContact NH2-OE2 3.09Å; R39-E89 PolarHBondContact NH2-OE2 2.89Å
40	W	95	Very high	91.1	Very high	16 Å²	16	79.2 Å²	79.2	6%	0.061	39%	0.386	C	S	.	.	H	α-helix	trans	-56.6	-51.3	171.5	-82.8	99.4	0	0	0	111.7	V36 Y37 K42 F43 I44 I58 F62 A81 E84 L85 V88	V36-W40 VanDerWaalsContact O-CD1 3.28Å; V36-W40 PolarHBondContact O-N 3.5Å; Y37-W40 WeakPolarHBondContact O-CB 3.39Å; Y37-W40 PolarHBondContact O-N 3.27Å; W40-K42 VanDerWaalsContact C-N 3.26Å; W40-K42 PolarHBondContact O-N 2.8Å; W40-F43 PolarHBondContact O-N 3.28Å; W40-I44 WeakPolarHBondContact O-CG1 3.07Å; W40-I44 PolarHBondContact O-N 2.84Å; W40-I58 HydrophobicContact CB-CG2 4.21Å; W40-I58 HydrophobicContact CE3-CD1 3.75Å; W40-I58 HydrophobicContact CE3-CG1 4.44Å; W40-I58 HydrophobicContact CG-CG2 4.46Å; W40-I58 HydrophobicContact CZ3-CD1 4.25Å; W40-F62 AromaticContact CD1-CZ 3.95Å; W40-F62 HydrophobicContact CG-CE2 4.48Å; W40-A81 WeakPolarHBondContact CZ2-O 3.37Å; W40-A81 PolarHBondContact NE1-O 3.42Å; W40-E84 HydrophobicContact CH2-CB 4.45Å; W40-E84 HydrophobicContact CZ2-CB 4.08Å; W40-L85 HydrophobicContact CD2-CB 4.28Å; W40-L85 HydrophobicContact CD2-CD1 3.85Å; W40-L85 HydrophobicContact CD2-CD2 4.22Å; W40-L85 HydrophobicContact CD2-CG 4.35Å; W40-L85 HydrophobicContact CE3-CD1 3.78Å; W40-L85 HydrophobicContact CG-CD1 4.46Å; W40-L85 HydrophobicContact CG-CD2 4.11Å; W40-L85 HydrophobicContact CH2-CB 4.13Å; W40-L85 HydrophobicContact CH2-CD1 4.16Å; W40-L85 HydrophobicContact CZ2-CB 3.54Å; W40-L85 HydrophobicContact CZ2-CD1 4.23Å; W40-L85 HydrophobicContact CZ2-CG 4.39Å; W40-L85 HydrophobicContact CZ3-CD1 3.94Å; W40-V88 HydrophobicContact CH2-CG2 4.47Å
41	T	93.5	Very high	90.2	Very high	47 Å²	47	75.1 Å²	75.1	29%	0.288	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-35.7	179.6	-53.5	0	0	0	0	113.1	Y37 K38 P45	Y37-T41 PolarHBondContact O-N 3.35Å; Y37-T41 PolarHBondContact O-OG1 2.93Å; Y37-T41 VanDerWaalsContact O-OG1 3.06Å; K38-T41 PolarHBondContact O-N 3.27Å; T41-P45 VanDerWaalsContact O-CD 3.23Å; T41-P45 WeakPolarHBondContact O-CD 3.45Å
42	K	94.4	Very high	89.4	Confident	172 Å²	172	76.5 Å²	76.5	75%	0.748	38%	0.38	S	S	*	.	H	α-helix	trans	-70.4	-32	175.4	-76	177.7	176.4	-174	0	113.3	K38 R39 W40 P45	K38-K42 WeakPolarHBondContact O-CG 3.32Å; K38-K42 PolarHBondContact O-N 3.15Å; R39-K42 PolarHBondContact O-N 3.05Å; W40-K42 VanDerWaalsContact C-N 3.26Å; W40-K42 PolarHBondContact O-N 2.8Å; K42-P45 WeakPolarHBondContact O-CD 3.2Å
43	F	92.8	Very high	88.8	Confident	35 Å²	35	80.3 Å²	80.3	15%	0.154	40%	0.398	C	S	.	.	H	α-helix	trans	-83.8	-28.7	-179.7	-175.1	-112.1	0	0	0	113	R39 W40 P45 T46 L47 L85 V88 E89	R39-F43 PolarHBondContact O-N 3.2Å; R39-F43 VanDerWaalsContact O-N 3.09Å; W40-F43 PolarHBondContact O-N 3.28Å; F43-P45 VanDerWaalsContact C-CD 3.5Å; F43-T46 HydrophobicContact CE2-CG2 4.3Å; F43-T46 VanDerWaalsContact O-CB 3.23Å; F43-T46 WeakPolarHBondContact O-CB 3.22Å; F43-T46 PolarHBondContact O-N 3.45Å; F43-T46 PolarHBondContact O-OG1 2.98Å; F43-L47 HydrophobicContact CD1-CD1 3.93Å; F43-L47 HydrophobicContact CD1-CG 4.17Å; F43-L47 HydrophobicContact CE1-CD1 3.65Å; F43-L47 HydrophobicContact CE1-CD2 3.93Å; F43-L47 HydrophobicContact CE1-CG 3.75Å; F43-L47 HydrophobicContact CZ-CD2 4.16Å; F43-L47 HydrophobicContact CZ-CG 4.31Å; F43-L85 HydrophobicContact CB-CD1 4.11Å; F43-L85 HydrophobicContact CD1-CD1 3.59Å; F43-L85 HydrophobicContact CE1-CD1 4.26Å; F43-L85 HydrophobicContact CG-CD1 4Å; F43-V88 HydrophobicContact CE1-CB 4.34Å; F43-V88 HydrophobicContact CE1-CG1 3.69Å; F43-V88 HydrophobicContact CZ-CG1 4.3Å; F43-E89 HydrophobicContact CD1-CG 4.42Å; F43-E89 HydrophobicContact CD2-CG 3.9Å; F43-E89 HydrophobicContact CE1-CG 4.19Å; F43-E89 HydrophobicContact CE2-CB 4.42Å; F43-E89 HydrophobicContact CE2-CG 3.67Å; F43-E89 HydrophobicContact CG-CG 4.27Å; F43-E89 HydrophobicContact CZ-CB 4.36Å; F43-E89 HydrophobicContact CZ-CG 3.82Å
44	I	90.3	Very high	88.4	Confident	9 Å²	9	78.3 Å²	78.3	5%	0.046	39%	0.386	C	S	.	.	H	α-helix	trans	-48.3	-46.6	180	-77.5	160.3	0	0	0	113.7	W40 T46 L47 N48 L54 H55 I58	W40-I44 WeakPolarHBondContact O-CG1 3.07Å; W40-I44 PolarHBondContact O-N 2.84Å; I44-T46 PolarHBondContact O-N 3.19Å; I44-T46 VanDerWaalsContact O-N 3.13Å; I44-L47 CarbonylContact O-C 3.54Å; I44-L47 WeakPolarHBondContact O-CA 3.45Å; I44-L47 PolarHBondContact O-N 3.32Å; I44-N48 WeakPolarHBondContact O-CB 3.47Å; I44-N48 PolarHBondContact O-N 3.1Å; I44-L54 HydrophobicContact CG1-CD2 4.27Å; I44-L54 HydrophobicContact CG2-CB 4.46Å; I44-L54 HydrophobicContact CG2-CD2 4.27Å; I44-H55 HydrophobicContact CD1-CB 4.45Å; I44-H55 HydrophobicContact CG2-CB 4.41Å; I44-I58 HydrophobicContact CD1-CB 4.34Å; I44-I58 HydrophobicContact CD1-CD1 3.42Å; I44-I58 VanDerWaalsContact CD1-CD1 3.42Å; I44-I58 HydrophobicContact CD1-CG1 4.46Å; I44-I58 HydrophobicContact CD1-CG2 4.45Å; I44-I58 HydrophobicContact CG1-CD1 3.42Å; I44-I58 VanDerWaalsContact CG1-CD1 3.42Å
45	P	89.3	Confident	88	Confident	89 Å²	89	77.9 Å²	77.9	58%	0.578	38%	0.382	S	S	*	.	H	α-helix	trans	-54.2	-31.6	177.8	-29	36	0	0	0	114.3	T41 K42 F43 L47 N48	T41-P45 VanDerWaalsContact O-CD 3.23Å; T41-P45 WeakPolarHBondContact O-CD 3.45Å; K42-P45 WeakPolarHBondContact O-CD 3.2Å; F43-P45 VanDerWaalsContact C-CD 3.5Å; P45-L47 VanDerWaalsContact C-N 3.28Å; P45-L47 PolarHBondContact O-N 3.31Å; P45-N48 PolarHBondContact O-N 3.23Å
46	T	87.9	Confident	87.7	Confident	93 Å²	93	80.1 Å²	80.1	57%	0.571	39%	0.386	S	S	*	.	H	α-helix	trans	-67.8	-29.1	175.9	-50.4	0	0	0	0	112.2	F43 I44	F43-T46 HydrophobicContact CE2-CG2 4.3Å; F43-T46 VanDerWaalsContact O-CB 3.23Å; F43-T46 WeakPolarHBondContact O-CB 3.22Å; F43-T46 PolarHBondContact O-N 3.45Å; F43-T46 PolarHBondContact O-OG1 2.98Å; I44-T46 PolarHBondContact O-N 3.19Å; I44-T46 VanDerWaalsContact O-N 3.13Å
47	L	84.2	Confident	87.3	Confident	37 Å²	37	80.4 Å²	80.4	19%	0.194	39%	0.388	C	S	.	.	H	α-helix	trans	-93.5	-22.8	176.8	-59.6	178.8	0	0	0	113.4	F43 I44 P45 Y49 L50 L54 V88 L98	F43-L47 HydrophobicContact CD1-CD1 3.93Å; F43-L47 HydrophobicContact CD1-CG 4.17Å; F43-L47 HydrophobicContact CE1-CD1 3.65Å; F43-L47 HydrophobicContact CE1-CD2 3.93Å; F43-L47 HydrophobicContact CE1-CG 3.75Å; F43-L47 HydrophobicContact CZ-CD2 4.16Å; F43-L47 HydrophobicContact CZ-CG 4.31Å; I44-L47 CarbonylContact O-C 3.54Å; I44-L47 WeakPolarHBondContact O-CA 3.45Å; I44-L47 PolarHBondContact O-N 3.32Å; P45-L47 VanDerWaalsContact C-N 3.28Å; P45-L47 PolarHBondContact O-N 3.31Å; L47-Y49 PolarHBondContact O-N 3.04Å; L47-L50 PolarHBondContact O-N 3.44Å; L47-L54 HydrophobicContact CB-CD2 3.53Å; L47-L54 HydrophobicContact CD1-CD2 3.74Å; L47-L54 HydrophobicContact CG-CD2 4.31Å; L47-V88 HydrophobicContact CD1-CG1 4.06Å; L47-V88 HydrophobicContact CD2-CG1 4.21Å; L47-L98 HydrophobicContact CD1-CD2 4.06Å
48	N	72.1	Confident	87.1	Confident	68 Å²	68	77.8 Å²	77.8	36%	0.364	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-17	-164.2	-166.1	55.5	0	0	0	114.2	I44 P45 L50 Y51	I44-N48 WeakPolarHBondContact O-CB 3.47Å; I44-N48 PolarHBondContact O-N 3.1Å; P45-N48 PolarHBondContact O-N 3.23Å; N48-L50 PolarHBondContact O-N 2.84Å; N48-L50 VanDerWaalsContact O-N 3.1Å; N48-Y51 PolarHBondContact O-N 3.12Å; N48-Y51 PolarHBondContact OD1-O 2.91Å
49	Y	71.6	Confident	86.9	Confident	191 Å²	191	76.4 Å²	76.4	75%	0.749	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.8	176.9	83.3	-88.9	0	0	0	112.8	L47	L47-Y49 PolarHBondContact O-N 3.04Å
50	L	68.8	Low	86.7	Confident	89 Å²	89	73.6 Å²	73.6	47%	0.466	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-31.3	-179.3	-63.7	171.3	0	0	0	113.9	L47 N48	L47-L50 PolarHBondContact O-N 3.44Å; N48-L50 PolarHBondContact O-N 2.84Å; N48-L50 VanDerWaalsContact O-N 3.1Å
51	Y	77.5	Confident	86.6	Confident	95 Å²	95	75.3 Å²	75.3	37%	0.373	38%	0.381	S	S	.	.			trans	-145.6	99.4	-168.6	-59.5	-77.5	0	0	0	112.4	N48 K53 L54 L99	N48-Y51 PolarHBondContact O-N 3.12Å; N48-Y51 PolarHBondContact OD1-O 2.91Å; Y51-K53 PolarHBondContact O-N 2.94Å; Y51-K53 VanDerWaalsContact O-N 3.08Å; Y51-L54 WeakPolarHBondContact O-CB 3.47Å; Y51-L54 PolarHBondContact O-N 3.4Å; Y51-L99 HydrophobicContact CD1-CD2 3.77Å; Y51-L99 HydrophobicContact CD2-CD1 4.28Å; Y51-L99 HydrophobicContact CD2-CD2 3.46Å; Y51-L99 VanDerWaalsContact CD2-CD2 3.46Å; Y51-L99 HydrophobicContact CD2-CG 4.37Å; Y51-L99 HydrophobicContact CE1-CD1 3.78Å; Y51-L99 HydrophobicContact CE1-CD2 3.81Å; Y51-L99 HydrophobicContact CE1-CG 4.42Å; Y51-L99 HydrophobicContact CE2-CD1 3.4Å; Y51-L99 VanDerWaalsContact CE2-CD1 3.4Å; Y51-L99 HydrophobicContact CE2-CD2 3.5Å; Y51-L99 HydrophobicContact CE2-CG 3.94Å; Y51-L99 HydrophobicContact CG-CD2 3.62Å; Y51-L99 WeakPolarHBondContact OH-CD1 3.47Å
52	P	79.7	Confident	86.7	Confident	113 Å²	113	75.5 Å²	75.5	73%	0.734	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.5	-174.3	25.4	-34.5	0	0	0	114.2
53	K	86.2	Confident	86.7	Confident	147 Å²	147	73.2 Å²	73.2	64%	0.639	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	9.3	-178.7	-61.4	-176.5	-178	174.1	0	113.7	Y51 H55 D56 A57 F103	Y51-K53 PolarHBondContact O-N 2.94Å; Y51-K53 VanDerWaalsContact O-N 3.08Å; K53-H55 VanDerWaalsContact C-N 3.33Å; K53-H55 PolarHBondContact O-N 3.29Å; K53-D56 PolarHBondContact O-N 2.94Å; K53-A57 PolarHBondContact O-N 3.18Å; K53-A57 VanDerWaalsContact O-N 3.08Å; K53-F103 HydrophobicContact CB-CE1 3.86Å; K53-F103 HydrophobicContact CB-CZ 4.2Å
54	L	88.7	Confident	86.7	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	-62.5	-39.6	-173.8	-162.9	74.1	0	0	0	112.6	I44 L47 Y51 D56 A57 I58 L102 F103	I44-L54 HydrophobicContact CG1-CD2 4.27Å; I44-L54 HydrophobicContact CG2-CB 4.46Å; I44-L54 HydrophobicContact CG2-CD2 4.27Å; L47-L54 HydrophobicContact CB-CD2 3.53Å; L47-L54 HydrophobicContact CD1-CD2 3.74Å; L47-L54 HydrophobicContact CG-CD2 4.31Å; Y51-L54 WeakPolarHBondContact O-CB 3.47Å; Y51-L54 PolarHBondContact O-N 3.4Å; L54-D56 PolarHBondContact O-N 3.4Å; L54-A57 PolarHBondContact O-N 3.39Å; L54-I58 HydrophobicContact CD2-CD1 4.42Å; L54-I58 HydrophobicContact CG-CD1 4.01Å; L54-I58 WeakPolarHBondContact O-CG1 3.38Å; L54-I58 PolarHBondContact O-N 2.83Å; L54-L102 HydrophobicContact CD1-CD1 3.29Å; L54-L102 HydrophobicContact CG-CD1 4.24Å; L54-F103 HydrophobicContact CD1-CE2 4.06Å; L54-F103 HydrophobicContact CD1-CZ 4.38Å
55	H	89.5	Confident	86.9	Confident	67 Å²	67	79.7 Å²	79.7	31%	0.31	40%	0.404	S	S	.	.	H	α-helix	trans	-59	-47.7	177.9	179.6	-88.8	0	0	0	112	I44 K53 I58 K59	I44-H55 HydrophobicContact CD1-CB 4.45Å; I44-H55 HydrophobicContact CG2-CB 4.41Å; K53-H55 VanDerWaalsContact C-N 3.33Å; K53-H55 PolarHBondContact O-N 3.29Å; H55-I58 PolarHBondContact O-N 3.36Å; H55-K59 WeakPolarHBondContact O-CB 3.45Å; H55-K59 PolarHBondContact O-N 3.27Å
56	D	90.5	Very high	87.2	Confident	105 Å²	105	78.7 Å²	78.7	56%	0.561	40%	0.403	S	S	*	.	H	α-helix	trans	-69.6	-36.2	-178.7	-65.1	-23.9	0	0	0	111.8	K53 L54 K59 A60	K53-D56 PolarHBondContact O-N 2.94Å; L54-D56 PolarHBondContact O-N 3.4Å; D56-K59 PolarHBondContact O-N 3.48Å; D56-A60 WeakPolarHBondContact O-CB 3.35Å; D56-A60 PolarHBondContact O-N 3.38Å
57	A	90.9	Very high	87.6	Confident	9 Å²	9	81.1 Å²	81.1	7%	0.074	41%	0.408	C	S	.	.	H	α-helix	trans	-64.3	-45.4	174.9	0	0	0	0	0	111.9	K53 L54 K59 A60 Q61 L102 F103	K53-A57 PolarHBondContact O-N 3.18Å; K53-A57 VanDerWaalsContact O-N 3.08Å; L54-A57 PolarHBondContact O-N 3.39Å; A57-K59 PolarHBondContact O-N 2.92Å; A57-A60 WeakPolarHBondContact O-CB 3.31Å; A57-A60 PolarHBondContact O-N 3.05Å; A57-Q61 WeakPolarHBondContact O-CG 3.38Å; A57-Q61 PolarHBondContact O-N 3.13Å; A57-L102 HydrophobicContact CB-CB 4.09Å; A57-F103 HydrophobicContact CB-CD1 4.1Å; A57-F103 HydrophobicContact CB-CE1 3.58Å; A57-F103 HydrophobicContact CB-CE2 4.39Å; A57-F103 HydrophobicContact CB-CZ 3.75Å
58	I	92.5	Very high	88.1	Confident	4 Å²	4	81.1 Å²	81.1	2%	0.021	41%	0.408	C	S	.	.	H	α-helix	trans	-62.3	-45.4	175.3	-73	164.1	0	0	0	110.2	W40 I44 L54 H55 A60 Q61 F62 L102	W40-I58 HydrophobicContact CB-CG2 4.21Å; W40-I58 HydrophobicContact CE3-CD1 3.75Å; W40-I58 HydrophobicContact CE3-CG1 4.44Å; W40-I58 HydrophobicContact CG-CG2 4.46Å; W40-I58 HydrophobicContact CZ3-CD1 4.25Å; I44-I58 HydrophobicContact CD1-CB 4.34Å; I44-I58 HydrophobicContact CD1-CD1 3.42Å; I44-I58 VanDerWaalsContact CD1-CD1 3.42Å; I44-I58 HydrophobicContact CD1-CG1 4.46Å; I44-I58 HydrophobicContact CD1-CG2 4.45Å; I44-I58 HydrophobicContact CG1-CD1 3.42Å; I44-I58 VanDerWaalsContact CG1-CD1 3.42Å; L54-I58 HydrophobicContact CD2-CD1 4.42Å; L54-I58 HydrophobicContact CG-CD1 4.01Å; L54-I58 WeakPolarHBondContact O-CG1 3.38Å; L54-I58 PolarHBondContact O-N 2.83Å; H55-I58 PolarHBondContact O-N 3.36Å; I58-A60 VanDerWaalsContact C-N 3.3Å; I58-A60 PolarHBondContact O-N 3.45Å; I58-Q61 WeakPolarHBondContact O-CB 3.45Å; I58-Q61 PolarHBondContact O-N 3.04Å; I58-Q61 VanDerWaalsContact O-N 3.15Å; I58-F62 HydrophobicContact CG2-CD2 4.01Å; I58-F62 HydrophobicContact CG2-CE2 3.96Å; I58-F62 WeakPolarHBondContact O-CD2 3.37Å; I58-F62 PolarHBondContact O-N 3.48Å; I58-F62 VanDerWaalsContact O-N 3.08Å; I58-L102 HydrophobicContact CG1-CD1 4.19Å; I58-L102 HydrophobicContact CG1-CD2 3.86Å
59	K	93.2	Very high	89.2	Confident	108 Å²	108	89 Å²	89	47%	0.47	43%	0.433	S	S	.	.	H	α-helix	trans	-57.4	-43.8	175	-175.8	178.3	177.2	-176.1	0	111.6	H55 D56 A57 Q61 F62 M63	H55-K59 WeakPolarHBondContact O-CB 3.45Å; H55-K59 PolarHBondContact O-N 3.27Å; D56-K59 PolarHBondContact O-N 3.48Å; A57-K59 PolarHBondContact O-N 2.92Å; K59-Q61 VanDerWaalsContact C-N 3.35Å; K59-Q61 PolarHBondContact O-N 3.38Å; K59-F62 PolarHBondContact O-N 3.47Å; K59-M63 HydrophobicContact CG-CG 4.49Å; K59-M63 VanDerWaalsContact O-CG 3.26Å; K59-M63 WeakPolarHBondContact O-CG 3.39Å; K59-M63 PolarHBondContact O-N 2.95Å
60	A	92.9	Very high	90.3	Very high	49 Å²	49	82.5 Å²	82.5	41%	0.405	41%	0.411	S	S	.	.	H	α-helix	trans	-60.9	-41.7	176.8	0	0	0	0	0	112	D56 A57 I58 M63 Q64	D56-A60 WeakPolarHBondContact O-CB 3.35Å; D56-A60 PolarHBondContact O-N 3.38Å; A57-A60 WeakPolarHBondContact O-CB 3.31Å; A57-A60 PolarHBondContact O-N 3.05Å; I58-A60 VanDerWaalsContact C-N 3.3Å; I58-A60 PolarHBondContact O-N 3.45Å; A60-M63 PolarHBondContact O-N 2.89Å; A60-Q64 WeakPolarHBondContact O-CG 3.31Å; A60-Q64 PolarHBondContact O-N 3.45Å
61	Q	92.3	Very high	91.6	Very high	52 Å²	52	80.2 Å²	80.2	24%	0.243	40%	0.399	C	S	.	.	H	α-helix	trans	-61.6	-42.6	176.3	-69.9	-68.6	-26.7	0	0	112.7	A57 I58 K59 M63 Q64 V101 L102	A57-Q61 WeakPolarHBondContact O-CG 3.38Å; A57-Q61 PolarHBondContact O-N 3.13Å; I58-Q61 WeakPolarHBondContact O-CB 3.45Å; I58-Q61 PolarHBondContact O-N 3.04Å; I58-Q61 VanDerWaalsContact O-N 3.15Å; K59-Q61 VanDerWaalsContact C-N 3.35Å; K59-Q61 PolarHBondContact O-N 3.38Å; Q61-M63 VanDerWaalsContact C-N 3.34Å; Q61-Q64 PolarHBondContact O-N 3.15Å; Q61-V101 PolarHBondContact NE2-O 3.08Å; Q61-L102 HydrophobicContact CG-CD2 3.89Å
62	F	94.7	Very high	92.4	Very high	52 Å²	52	80.3 Å²	80.3	23%	0.228	40%	0.398	C	S	.	.	H	α-helix	trans	-63.8	-40.8	173.7	-85.6	-99.1	0	0	0	111.6	V33 V36 Y37 W40 I58 K59 Q64 N65	V33-F62 HydrophobicContact CG1-CD1 4.11Å; V33-F62 HydrophobicContact CG1-CE1 4.2Å; V36-F62 HydrophobicContact CG1-CZ 4.22Å; Y37-F62 HydrophobicContact CD2-CD1 4.19Å; Y37-F62 AromaticContact CD2-CD2 3.86Å; Y37-F62 HydrophobicContact CD2-CD2 3.86Å; Y37-F62 HydrophobicContact CD2-CE1 4.33Å; Y37-F62 HydrophobicContact CD2-CE2 4.01Å; Y37-F62 AromaticContact CD2-CG 3.95Å; Y37-F62 HydrophobicContact CD2-CG 3.95Å; Y37-F62 HydrophobicContact CD2-CZ 4.24Å; Y37-F62 HydrophobicContact CE2-CD2 4.46Å; W40-F62 AromaticContact CD1-CZ 3.95Å; W40-F62 HydrophobicContact CG-CE2 4.48Å; I58-F62 HydrophobicContact CG2-CD2 4.01Å; I58-F62 HydrophobicContact CG2-CE2 3.96Å; I58-F62 WeakPolarHBondContact O-CD2 3.37Å; I58-F62 PolarHBondContact O-N 3.48Å; I58-F62 VanDerWaalsContact O-N 3.08Å; K59-F62 PolarHBondContact O-N 3.47Å; F62-Q64 PolarHBondContact O-N 2.97Å; F62-N65 PolarHBondContact O-N 3.19Å
63	M	95	Very high	93.1	Very high	123 Å²	123	78.2 Å²	78.2	61%	0.606	38%	0.38	S	S	*	.	H	α-helix	trans	-69.9	-28.3	-179.1	-69.2	-59.8	-65	0	0	113.7	K59 A60 Q61 N65 A66	K59-M63 HydrophobicContact CG-CG 4.49Å; K59-M63 VanDerWaalsContact O-CG 3.26Å; K59-M63 WeakPolarHBondContact O-CG 3.39Å; K59-M63 PolarHBondContact O-N 2.95Å; A60-M63 PolarHBondContact O-N 2.89Å; Q61-M63 VanDerWaalsContact C-N 3.34Å; M63-N65 PolarHBondContact O-N 3.32Å; M63-N65 VanDerWaalsContact O-N 3.16Å; M63-A66 HydrophobicContact CE-CB 4.47Å; M63-A66 VanDerWaalsContact O-CB 3.25Å; M63-A66 WeakPolarHBondContact O-CB 3.31Å; M63-A66 PolarHBondContact O-N 3.08Å; M63-A66 VanDerWaalsContact O-N 3.09Å
64	Q	93.3	Very high	93.7	Very high	113 Å²	113	72.8 Å²	72.8	53%	0.528	36%	0.358	S	S	.	.	H	α-helix	trans	-54.9	-33.5	175.2	-76.6	172.2	37.5	0	0	112.3	A60 Q61 F62 H67	A60-Q64 WeakPolarHBondContact O-CG 3.31Å; A60-Q64 PolarHBondContact O-N 3.45Å; Q61-Q64 PolarHBondContact O-N 3.15Å; F62-Q64 PolarHBondContact O-N 2.97Å; Q64-H67 PolarHBondContact O-CE1 2.84Å; Q64-H67 PolarHBondContact O-ND1 3.22Å
65	N	94.3	Very high	94.1	Very high	67 Å²	67	72.8 Å²	72.8	36%	0.358	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	6.7	-177.3	-65	-51.1	0	0	0	113.8	F62 M63 H67 I68 L77	F62-N65 PolarHBondContact O-N 3.19Å; M63-N65 PolarHBondContact O-N 3.32Å; M63-N65 VanDerWaalsContact O-N 3.16Å; N65-H67 PolarHBondContact O-N 3.36Å; N65-H67 VanDerWaalsContact O-N 3.08Å; N65-I68 HydrophobicContact CB-CD1 3.93Å; N65-I68 WeakPolarHBondContact O-CB 3.38Å; N65-I68 WeakPolarHBondContact O-CG1 3.46Å; N65-I68 PolarHBondContact O-N 3.5Å; N65-L77 HydrophobicContact CB-CD1 4.05Å
66	A	95.3	Very high	94.4	Very high	69 Å²	69	74.6 Å²	74.6	57%	0.57	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.8	-174.1	0	0	0	0	0	114.5	M63 I68	M63-A66 HydrophobicContact CE-CB 4.47Å; M63-A66 VanDerWaalsContact O-CB 3.25Å; M63-A66 WeakPolarHBondContact O-CB 3.31Å; M63-A66 PolarHBondContact O-N 3.08Å; M63-A66 VanDerWaalsContact O-N 3.09Å; A66-I68 VanDerWaalsContact C-N 3.33Å
67	H	96.3	Very high	94.7	Very high	143 Å²	143	72.4 Å²	72.4	66%	0.662	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.2	-179.7	62.1	-82	0	0	0	113.6	Q64 N65	Q64-H67 PolarHBondContact O-CE1 2.84Å; Q64-H67 PolarHBondContact O-ND1 3.22Å; N65-H67 PolarHBondContact O-N 3.36Å; N65-H67 VanDerWaalsContact O-N 3.08Å
68	I	95.9	Very high	95	Very high	38 Å²	38	72.3 Å²	72.3	20%	0.195	35%	0.354	C	S	.	.			trans	-75.8	129.5	-175.2	-61	174.8	0	0	0	110.2	N65 A66 I73 I74 L77	N65-I68 HydrophobicContact CB-CD1 3.93Å; N65-I68 WeakPolarHBondContact O-CB 3.38Å; N65-I68 WeakPolarHBondContact O-CG1 3.46Å; N65-I68 PolarHBondContact O-N 3.5Å; A66-I68 VanDerWaalsContact C-N 3.33Å; I68-I73 HydrophobicContact CD1-CG2 4.08Å; I68-I73 HydrophobicContact CG2-CB 3.87Å; I68-I73 HydrophobicContact CG2-CG2 3.73Å; I68-I74 HydrophobicContact CG2-CG1 4.06Å; I68-L77 HydrophobicContact CD1-CD1 3.43Å; I68-L77 VanDerWaalsContact CD1-CD1 3.43Å
69	R	94.8	Very high	95.3	Very high	234 Å²	234	76.7 Å²	76.7	88%	0.883	37%	0.374	S	S	*	.			trans	-110.1	-20.9	-179.6	-61.3	-176.7	-176.8	171.5	0.3	114.4	I71	R69-I71 PolarHBondContact O-N 3.38Å
70	D	94.4	Very high	95.4	Very high	54 Å²	54	77.5 Å²	77.5	29%	0.289	38%	0.378	S	S	.	.			trans	-73.7	118.1	-179	-171.2	-28.5	0	0	0	110.4	R72 I73 I74	D70-R72 PolarHBondContact O-N 3.4Å; D70-R72 WeakPolarHBondContact OD1-CB 3.36Å; D70-R72 IonicContact OD1-CZ 3.11Å; D70-R72 PolarHBondContact OD1-N 3.08Å; D70-R72 IonicContact OD1-NE 3.8Å; D70-R72 PolarHBondContact OD1-NE 3.48Å; D70-R72 VanDerWaalsContact OD1-NE 3.09Å; D70-R72 IonicContact OD1-NH2 3.89Å; D70-R72 IonicContact OD2-CZ 3.24Å; D70-R72 IonicContact OD2-NE 2.7Å; D70-R72 PolarHBondContact OD2-NE 3.38Å; D70-R72 IonicContact OD2-NH2 3.46Å; D70-R72 PolarHBondContact OD2-NH2 3.08Å; D70-I73 HydrophobicContact CB-CB 4.27Å; D70-I73 HydrophobicContact CB-CD1 3.87Å; D70-I73 HydrophobicContact CB-CG1 3.92Å; D70-I73 PolarHBondContact O-N 3.48Å; D70-I73 VanDerWaalsContact O-N 3.11Å; D70-I74 WeakPolarHBondContact O-CG1 3.47Å; D70-I74 PolarHBondContact O-N 2.96Å
71	I	95	Very high	95.6	Very high	41 Å²	41	76.1 Å²	76.1	21%	0.21	37%	0.367	C	S	.	.	H	α-helix	trans	-54.4	-38.6	-178.6	-61.4	172.6	0	0	0	111.6	P26 A29 R69 I73 I74 D75	P26-I71 HydrophobicContact CB-CD1 4.37Å; P26-I71 HydrophobicContact CB-CG1 4.41Å; A29-I71 HydrophobicContact CB-CG2 4.16Å; R69-I71 PolarHBondContact O-N 3.38Å; I71-I73 PolarHBondContact O-N 3.29Å; I71-I74 WeakPolarHBondContact O-CB 3.34Å; I71-I74 PolarHBondContact O-N 3.05Å; I71-D75 PolarHBondContact O-N 3.39Å
72	R	94.5	Very high	95.8	Very high	96 Å²	96	76.5 Å²	76.5	36%	0.362	37%	0.368	S	S	.	.	H	α-helix	trans	-68.8	-38.5	-177.6	-59.2	168.8	-64.3	169.4	2	111.2	I21 D70 I74 D75 M76	I21-R72 HydrophobicContact CD1-CB 3.9Å; I21-R72 HydrophobicContact CG1-CB 4.27Å; I21-R72 HydrophobicContact CG1-CG 4.37Å; D70-R72 PolarHBondContact O-N 3.4Å; D70-R72 WeakPolarHBondContact OD1-CB 3.36Å; D70-R72 IonicContact OD1-CZ 3.11Å; D70-R72 PolarHBondContact OD1-N 3.08Å; D70-R72 IonicContact OD1-NE 3.8Å; D70-R72 PolarHBondContact OD1-NE 3.48Å; D70-R72 VanDerWaalsContact OD1-NE 3.09Å; D70-R72 IonicContact OD1-NH2 3.89Å; D70-R72 IonicContact OD2-CZ 3.24Å; D70-R72 IonicContact OD2-NE 2.7Å; D70-R72 PolarHBondContact OD2-NE 3.38Å; D70-R72 IonicContact OD2-NH2 3.46Å; D70-R72 PolarHBondContact OD2-NH2 3.08Å; R72-I74 VanDerWaalsContact C-N 3.34Å; R72-D75 PolarHBondContact O-N 3.32Å; R72-M76 WeakPolarHBondContact O-CE 3.41Å; R72-M76 WeakPolarHBondContact O-CG 3.35Å; R72-M76 PolarHBondContact O-N 3.43Å
73	I	96	Very high	95.9	Very high	69 Å²	69	78.9 Å²	78.9	35%	0.354	38%	0.38	S	S	.	.	H	α-helix	trans	-67.4	-41.5	176.3	-58	-180	0	0	0	109.6	I68 D70 I71 D75 M76 L77	I68-I73 HydrophobicContact CD1-CG2 4.08Å; I68-I73 HydrophobicContact CG2-CB 3.87Å; I68-I73 HydrophobicContact CG2-CG2 3.73Å; D70-I73 HydrophobicContact CB-CB 4.27Å; D70-I73 HydrophobicContact CB-CD1 3.87Å; D70-I73 HydrophobicContact CB-CG1 3.92Å; D70-I73 PolarHBondContact O-N 3.48Å; D70-I73 VanDerWaalsContact O-N 3.11Å; I71-I73 PolarHBondContact O-N 3.29Å; I73-D75 PolarHBondContact O-N 2.96Å; I73-M76 HydrophobicContact CB-CE 4.34Å; I73-M76 HydrophobicContact CG1-CE 4.03Å; I73-M76 PolarHBondContact O-N 2.94Å; I73-L77 HydrophobicContact CG2-CD1 4.13Å; I73-L77 HydrophobicContact CG2-CG 4.43Å; I73-L77 WeakPolarHBondContact O-CG 3.48Å; I73-L77 PolarHBondContact O-N 3.42Å
74	I	97.1	Very high	95.9	Very high	33 Å²	33	76.7 Å²	76.7	17%	0.169	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-47.3	174.9	-62.9	165.9	0	0	0	110.3	A29 V33 I68 D70 I71 R72 M76 L77 V78	A29-I74 HydrophobicContact CB-CB 4.49Å; A29-I74 HydrophobicContact CB-CG2 3.98Å; V33-I74 HydrophobicContact CG2-CG2 3.53Å; I68-I74 HydrophobicContact CG2-CG1 4.06Å; D70-I74 WeakPolarHBondContact O-CG1 3.47Å; D70-I74 PolarHBondContact O-N 2.96Å; I71-I74 WeakPolarHBondContact O-CB 3.34Å; I71-I74 PolarHBondContact O-N 3.05Å; R72-I74 VanDerWaalsContact C-N 3.34Å; I74-M76 VanDerWaalsContact C-N 3.34Å; I74-M76 PolarHBondContact O-N 3.43Å; I74-L77 PolarHBondContact O-N 2.94Å; I74-V78 HydrophobicContact CG2-CG2 4.19Å; I74-V78 WeakPolarHBondContact O-CB 3.43Å; I74-V78 VanDerWaalsContact O-CG2 3.25Å; I74-V78 WeakPolarHBondContact O-CG2 3.42Å; I74-V78 PolarHBondContact O-N 2.85Å
75	D	97	Very high	96	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.011	34%	0.343	C	S	.	.	H	α-helix	trans	-58	-43.6	177.3	-79.8	-19.8	0	0	0	112.5	I21 V22 S23 R32 I71 R72 I73 V78 H79	I21-D75 HydrophobicContact CB-CB 4.31Å; V22-D75 PolarHBondContact N-OD2 3.41Å; S23-D75 WeakPolarHBondContact CB-OD1 3.44Å; S23-D75 PolarHBondContact N-OD2 2.96Å; S23-D75 PolarHBondContact OG-OD1 3.41Å; R32-D75 IonicContact NE-OD1 3.87Å; I71-D75 PolarHBondContact O-N 3.39Å; R72-D75 PolarHBondContact O-N 3.32Å; I73-D75 PolarHBondContact O-N 2.96Å; D75-V78 PolarHBondContact O-N 2.93Å; D75-H79 WeakPolarHBondContact O-CB 3.37Å; D75-H79 PolarHBondContact O-N 3.14Å
76	M	96.8	Very high	96.1	Very high	105 Å²	105	73.2 Å²	73.2	52%	0.517	35%	0.346	S	S	.	.	H	α-helix	trans	-63.4	-41.8	176.7	-71.2	-176.2	-69.3	0	0	112	I21 R72 I73 I74 H79 K80	I21-M76 HydrophobicContact CD1-CG 3.71Å; I21-M76 HydrophobicContact CD1-SD 4.18Å; R72-M76 WeakPolarHBondContact O-CE 3.41Å; R72-M76 WeakPolarHBondContact O-CG 3.35Å; R72-M76 PolarHBondContact O-N 3.43Å; I73-M76 HydrophobicContact CB-CE 4.34Å; I73-M76 HydrophobicContact CG1-CE 4.03Å; I73-M76 PolarHBondContact O-N 2.94Å; I74-M76 VanDerWaalsContact C-N 3.34Å; I74-M76 PolarHBondContact O-N 3.43Å; M76-H79 PolarHBondContact O-N 3.18Å; M76-K80 WeakPolarHBondContact O-CB 3.46Å; M76-K80 PolarHBondContact O-N 3.4Å
77	L	97.1	Very high	96.1	Very high	59 Å²	59	71.3 Å²	71.3	31%	0.309	33%	0.329	S	S	.	.	H	α-helix	trans	-67.9	-39.8	177.5	-71	174	0	0	0	112.4	N65 I68 I73 I74 K80 A81	N65-L77 HydrophobicContact CB-CD1 4.05Å; I68-L77 HydrophobicContact CD1-CD1 3.43Å; I68-L77 VanDerWaalsContact CD1-CD1 3.43Å; I73-L77 HydrophobicContact CG2-CD1 4.13Å; I73-L77 HydrophobicContact CG2-CG 4.43Å; I73-L77 WeakPolarHBondContact O-CG 3.48Å; I73-L77 PolarHBondContact O-N 3.42Å; I74-L77 PolarHBondContact O-N 2.94Å; L77-K80 PolarHBondContact O-N 2.93Å; L77-A81 WeakPolarHBondContact O-CB 3.46Å; L77-A81 PolarHBondContact O-N 3.42Å
78	V	97.3	Very high	96	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-59.3	-49.7	173.3	167.7	0	0	0	0	109.9	R32 V33 V36 I74 D75 K80 A81 E82	R32-V78 HydrophobicContact CB-CG1 4.1Å; V33-V78 HydrophobicContact CB-CG2 4.31Å; V33-V78 HydrophobicContact CG2-CG2 3.41Å; V33-V78 VanDerWaalsContact CG2-CG2 3.41Å; V36-V78 HydrophobicContact CG2-CG1 3.76Å; I74-V78 HydrophobicContact CG2-CG2 4.19Å; I74-V78 WeakPolarHBondContact O-CB 3.43Å; I74-V78 VanDerWaalsContact O-CG2 3.25Å; I74-V78 WeakPolarHBondContact O-CG2 3.42Å; I74-V78 PolarHBondContact O-N 2.85Å; D75-V78 PolarHBondContact O-N 2.93Å; V78-K80 VanDerWaalsContact C-N 3.34Å; V78-K80 PolarHBondContact O-N 3.25Å; V78-A81 PolarHBondContact O-N 2.88Å; V78-A81 VanDerWaalsContact O-N 3.16Å; V78-E82 WeakPolarHBondContact O-CG 3.5Å; V78-E82 PolarHBondContact O-N 3.18Å
79	H	97.4	Very high	95.9	Very high	96 Å²	96	66.3 Å²	66.3	44%	0.444	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-44.7	178.8	-175.9	65.2	0	0	0	111.9	D75 M76 A81 E82 Q83	D75-H79 WeakPolarHBondContact O-CB 3.37Å; D75-H79 PolarHBondContact O-N 3.14Å; M76-H79 PolarHBondContact O-N 3.18Å; H79-A81 VanDerWaalsContact C-N 3.32Å; H79-A81 PolarHBondContact O-N 3.19Å; H79-E82 WeakPolarHBondContact O-CB 3.22Å; H79-E82 PolarHBondContact O-N 3.16Å; H79-Q83 VanDerWaalsContact NE2-CD 3.25Å; H79-Q83 PolarHBondContact NE2-NE2 3.08Å; H79-Q83 VanDerWaalsContact NE2-NE2 3.12Å; H79-Q83 WeakPolarHBondContact O-CG 3.25Å; H79-Q83 PolarHBondContact O-N 2.69Å
80	K	96.5	Very high	95.9	Very high	125 Å²	125	59.4 Å²	59.4	54%	0.543	28%	0.283	S	S	.	.	H	α-helix	trans	-58.1	-45.1	175.1	-173.6	179.6	-179.1	-179.2	0	111.5	M76 L77 V78 E82 Q83 E84	M76-K80 WeakPolarHBondContact O-CB 3.46Å; M76-K80 PolarHBondContact O-N 3.4Å; L77-K80 PolarHBondContact O-N 2.93Å; V78-K80 VanDerWaalsContact C-N 3.34Å; V78-K80 PolarHBondContact O-N 3.25Å; K80-E82 VanDerWaalsContact C-N 3.32Å; K80-E82 PolarHBondContact O-N 3.03Å; K80-Q83 PolarHBondContact O-N 2.9Å; K80-E84 WeakPolarHBondContact O-CG 3.45Å; K80-E84 PolarHBondContact O-N 3.13Å
81	A	96.4	Very high	95.7	Very high	21 Å²	21	60.8 Å²	60.8	17%	0.174	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-32.4	178.6	0	0	0	0	0	113.1	V36 W40 L77 V78 H79 L85	V36-A81 HydrophobicContact CG1-CB 3.87Å; W40-A81 WeakPolarHBondContact CZ2-O 3.37Å; W40-A81 PolarHBondContact NE1-O 3.42Å; L77-A81 WeakPolarHBondContact O-CB 3.46Å; L77-A81 PolarHBondContact O-N 3.42Å; V78-A81 PolarHBondContact O-N 2.88Å; V78-A81 VanDerWaalsContact O-N 3.16Å; H79-A81 VanDerWaalsContact C-N 3.32Å; H79-A81 PolarHBondContact O-N 3.19Å; A81-L85 WeakPolarHBondContact O-CB 3.49Å; A81-L85 PolarHBondContact O-N 2.95Å; A81-L85 VanDerWaalsContact O-N 3.14Å
82	E	97.2	Very high	95.8	Very high	59 Å²	59	66.9 Å²	66.9	28%	0.276	32%	0.323	S	S	.	.	H	α-helix	trans	-68.5	-43.5	172.5	-71.5	173.4	154.7	0	0	111.9	V36 V78 H79 K80 L85 Y86	V36-E82 HydrophobicContact CB-CG 4.44Å; V36-E82 HydrophobicContact CG1-CG 4.12Å; V36-E82 HydrophobicContact CG2-CG 3.41Å; V36-E82 VanDerWaalsContact CG2-CG 3.41Å; V36-E82 WeakPolarHBondContact CG2-OE1 3.23Å; V78-E82 WeakPolarHBondContact O-CG 3.5Å; V78-E82 PolarHBondContact O-N 3.18Å; H79-E82 WeakPolarHBondContact O-CB 3.22Å; H79-E82 PolarHBondContact O-N 3.16Å; K80-E82 VanDerWaalsContact C-N 3.32Å; K80-E82 PolarHBondContact O-N 3.03Å; E82-L85 PolarHBondContact O-N 3.09Å; E82-Y86 WeakPolarHBondContact O-CB 3.44Å; E82-Y86 PolarHBondContact O-N 3.18Å
83	Q	97	Very high	95.6	Very high	102 Å²	102	63.6 Å²	63.6	48%	0.477	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-42.8	178.1	-73.1	-179.3	-47.6	0	0	112.2	H79 K80 Y86 S87	H79-Q83 VanDerWaalsContact NE2-CD 3.25Å; H79-Q83 PolarHBondContact NE2-NE2 3.08Å; H79-Q83 VanDerWaalsContact NE2-NE2 3.12Å; H79-Q83 WeakPolarHBondContact O-CG 3.25Å; H79-Q83 PolarHBondContact O-N 2.69Å; K80-Q83 PolarHBondContact O-N 2.9Å; Q83-Y86 PolarHBondContact O-N 3.24Å; Q83-S87 WeakPolarHBondContact O-CB 3.41Å; Q83-S87 PolarHBondContact O-N 3.11Å; Q83-S87 PolarHBondContact O-OG 3.28Å
84	E	94.6	Very high	95.2	Very high	77 Å²	77	63.7 Å²	63.7	36%	0.36	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-46.1	175	-72.1	-66.8	169	0	0	110.8	W40 K80 Y86 S87 V88	W40-E84 HydrophobicContact CH2-CB 4.45Å; W40-E84 HydrophobicContact CZ2-CB 4.08Å; K80-E84 WeakPolarHBondContact O-CG 3.45Å; K80-E84 PolarHBondContact O-N 3.13Å; E84-Y86 VanDerWaalsContact C-N 3.32Å; E84-Y86 PolarHBondContact O-N 2.99Å; E84-S87 PolarHBondContact O-N 3.43Å; E84-V88 VanDerWaalsContact O-CG2 3.31Å; E84-V88 WeakPolarHBondContact O-CG2 3.42Å; E84-V88 PolarHBondContact O-N 3.11Å
85	L	95.1	Very high	94.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-44.9	177.4	-177	52.6	0	0	0	111.6	R39 W40 F43 A81 E82 S87 V88 E89	R39-L85 HydrophobicContact CB-CD2 3.85Å; R39-L85 VanDerWaalsContact CD-CD2 3.49Å; R39-L85 HydrophobicContact CG-CD2 3.56Å; W40-L85 HydrophobicContact CD2-CB 4.28Å; W40-L85 HydrophobicContact CD2-CD1 3.85Å; W40-L85 HydrophobicContact CD2-CD2 4.22Å; W40-L85 HydrophobicContact CD2-CG 4.35Å; W40-L85 HydrophobicContact CE3-CD1 3.78Å; W40-L85 HydrophobicContact CG-CD1 4.46Å; W40-L85 HydrophobicContact CG-CD2 4.11Å; W40-L85 HydrophobicContact CH2-CB 4.13Å; W40-L85 HydrophobicContact CH2-CD1 4.16Å; W40-L85 HydrophobicContact CZ2-CB 3.54Å; W40-L85 HydrophobicContact CZ2-CD1 4.23Å; W40-L85 HydrophobicContact CZ2-CG 4.39Å; W40-L85 HydrophobicContact CZ3-CD1 3.94Å; F43-L85 HydrophobicContact CB-CD1 4.11Å; F43-L85 HydrophobicContact CD1-CD1 3.59Å; F43-L85 HydrophobicContact CE1-CD1 4.26Å; F43-L85 HydrophobicContact CG-CD1 4Å; A81-L85 WeakPolarHBondContact O-CB 3.49Å; A81-L85 PolarHBondContact O-N 2.95Å; A81-L85 VanDerWaalsContact O-N 3.14Å; E82-L85 PolarHBondContact O-N 3.09Å; L85-S87 VanDerWaalsContact C-N 3.34Å; L85-S87 PolarHBondContact O-N 3.09Å; L85-V88 PolarHBondContact O-N 3.49Å; L85-E89 HydrophobicContact CD1-CG 4.17Å; L85-E89 HydrophobicContact CG-CG 4.37Å; L85-E89 WeakPolarHBondContact O-CB 3.49Å; L85-E89 VanDerWaalsContact O-CG 3.31Å; L85-E89 WeakPolarHBondContact O-CG 3.26Å; L85-E89 PolarHBondContact O-N 3.16Å
86	Y	96.6	Very high	94.2	Very high	107 Å²	107	69.1 Å²	69.1	42%	0.42	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-43.6	176.5	-179.1	-107	0	0	0	111.7	E82 Q83 E84 V88 E89 Q90 W92	E82-Y86 WeakPolarHBondContact O-CB 3.44Å; E82-Y86 PolarHBondContact O-N 3.18Å; Q83-Y86 PolarHBondContact O-N 3.24Å; E84-Y86 VanDerWaalsContact C-N 3.32Å; E84-Y86 PolarHBondContact O-N 2.99Å; Y86-V88 VanDerWaalsContact C-N 3.31Å; Y86-V88 PolarHBondContact O-N 3.22Å; Y86-E89 PolarHBondContact O-N 2.61Å; Y86-Q90 HydrophobicContact CD1-CG 4.32Å; Y86-Q90 HydrophobicContact CD2-CG 4.17Å; Y86-Q90 HydrophobicContact CE1-CG 3.93Å; Y86-Q90 HydrophobicContact CE2-CG 3.77Å; Y86-Q90 HydrophobicContact CG-CG 4.44Å; Y86-Q90 WeakPolarHBondContact O-CB 3.41Å; Y86-Q90 VanDerWaalsContact O-CG 3.31Å; Y86-Q90 WeakPolarHBondContact O-CG 3.5Å; Y86-Q90 PolarHBondContact O-N 2.7Å; Y86-W92 HydrophobicContact CD1-CZ3 4.14Å; Y86-W92 HydrophobicContact CE1-CE3 4.43Å; Y86-W92 AromaticContact CE1-CH2 3.74Å; Y86-W92 HydrophobicContact CE1-CH2 3.74Å; Y86-W92 AromaticContact CE1-CZ3 3.58Å; Y86-W92 HydrophobicContact CE1-CZ3 3.58Å
87	S	95.7	Very high	93.8	Very high	29 Å²	29	67.2 Å²	67.2	20%	0.203	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-36.7	178.5	-55.7	0	0	0	0	112.2	Q83 E84 L85 A91 W92 T93	Q83-S87 WeakPolarHBondContact O-CB 3.41Å; Q83-S87 PolarHBondContact O-N 3.11Å; Q83-S87 PolarHBondContact O-OG 3.28Å; E84-S87 PolarHBondContact O-N 3.43Å; L85-S87 VanDerWaalsContact C-N 3.34Å; L85-S87 PolarHBondContact O-N 3.09Å; S87-A91 PolarHBondContact O-N 2.94Å; S87-W92 PolarHBondContact O-N 3.05Å; S87-T93 VanDerWaalsContact CB-OG1 3.22Å; S87-T93 WeakPolarHBondContact CB-OG1 3.33Å; S87-T93 PolarHBondContact O-N 2.99Å
88	V	93.2	Very high	93.4	Very high	15 Å²	15	65.4 Å²	65.4	9%	0.091	34%	0.344	C	S	.	.	H	α-helix	trans	-72.9	-41.8	174.6	-177.2	0	0	0	0	111.3	W40 F43 L47 E84 L85 Y86 Q90 A91 T93 L98	W40-V88 HydrophobicContact CH2-CG2 4.47Å; F43-V88 HydrophobicContact CE1-CB 4.34Å; F43-V88 HydrophobicContact CE1-CG1 3.69Å; F43-V88 HydrophobicContact CZ-CG1 4.3Å; L47-V88 HydrophobicContact CD1-CG1 4.06Å; L47-V88 HydrophobicContact CD2-CG1 4.21Å; E84-V88 VanDerWaalsContact O-CG2 3.31Å; E84-V88 WeakPolarHBondContact O-CG2 3.42Å; E84-V88 PolarHBondContact O-N 3.11Å; L85-V88 PolarHBondContact O-N 3.49Å; Y86-V88 VanDerWaalsContact C-N 3.31Å; Y86-V88 PolarHBondContact O-N 3.22Å; V88-Q90 VanDerWaalsContact C-N 3.27Å; V88-Q90 PolarHBondContact O-N 2.82Å; V88-A91 PolarHBondContact O-N 3Å; V88-T93 HydrophobicContact CG2-CG2 4.44Å; V88-L98 HydrophobicContact CG1-CD2 3.96Å; V88-L98 HydrophobicContact CG2-CD1 4.09Å; V88-L98 HydrophobicContact CG2-CD2 4.14Å
89	E	93.5	Very high	92.8	Very high	62 Å²	62	66.3 Å²	66.3	29%	0.29	35%	0.349	S	S	.	.	H	α-helix	trans	-59.5	-37.6	175	-77.4	174.2	-178.8	0	0	111.7	R39 F43 L85 Y86 A91	R39-E89 IonicContact CZ-OE1 3.72Å; R39-E89 IonicContact CZ-OE2 3.43Å; R39-E89 IonicContact NE-OE1 3.59Å; R39-E89 PolarHBondContact NE-OE1 2.98Å; R39-E89 VanDerWaalsContact NE-OE1 3.11Å; R39-E89 IonicContact NH2-OE1 2.69Å; R39-E89 PolarHBondContact NH2-OE1 3.25Å; R39-E89 IonicContact NH2-OE2 3.09Å; R39-E89 PolarHBondContact NH2-OE2 2.89Å; F43-E89 HydrophobicContact CD1-CG 4.42Å; F43-E89 HydrophobicContact CD2-CG 3.9Å; F43-E89 HydrophobicContact CE1-CG 4.19Å; F43-E89 HydrophobicContact CE2-CB 4.42Å; F43-E89 HydrophobicContact CE2-CG 3.67Å; F43-E89 HydrophobicContact CG-CG 4.27Å; F43-E89 HydrophobicContact CZ-CB 4.36Å; F43-E89 HydrophobicContact CZ-CG 3.82Å; L85-E89 HydrophobicContact CD1-CG 4.17Å; L85-E89 HydrophobicContact CG-CG 4.37Å; L85-E89 WeakPolarHBondContact O-CB 3.49Å; L85-E89 VanDerWaalsContact O-CG 3.31Å; L85-E89 WeakPolarHBondContact O-CG 3.26Å; L85-E89 PolarHBondContact O-N 3.16Å; Y86-E89 PolarHBondContact O-N 2.61Å; E89-A91 VanDerWaalsContact C-N 3.29Å
90	Q	95	Very high	92.3	Very high	88 Å²	88	65.4 Å²	65.4	41%	0.411	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	3	176.2	-62.2	-51.7	-60.1	0	0	114	Y86 V88 W92	Y86-Q90 HydrophobicContact CD1-CG 4.32Å; Y86-Q90 HydrophobicContact CD2-CG 4.17Å; Y86-Q90 HydrophobicContact CE1-CG 3.93Å; Y86-Q90 HydrophobicContact CE2-CG 3.77Å; Y86-Q90 HydrophobicContact CG-CG 4.44Å; Y86-Q90 WeakPolarHBondContact O-CB 3.41Å; Y86-Q90 VanDerWaalsContact O-CG 3.31Å; Y86-Q90 WeakPolarHBondContact O-CG 3.5Å; Y86-Q90 PolarHBondContact O-N 2.7Å; V88-Q90 VanDerWaalsContact C-N 3.27Å; V88-Q90 PolarHBondContact O-N 2.82Å; Q90-W92 HydrophobicContact CB-CD2 3.82Å; Q90-W92 HydrophobicContact CB-CE3 4.4Å; Q90-W92 HydrophobicContact CB-CG 3.96Å; Q90-W92 HydrophobicContact CB-CZ2 4.25Å; Q90-W92 HydrophobicContact CG-CZ2 4.31Å; Q90-W92 VanDerWaalsContact O-CD1 3.27Å; Q90-W92 PolarHBondContact O-N 3.41Å; Q90-W92 VanDerWaalsContact O-N 3.15Å
91	A	91.8	Very high	91.8	Very high	84 Å²	84	63.3 Å²	63.3	69%	0.694	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	25.8	-174.8	0	0	0	0	0	114.6	S87 V88 E89	S87-A91 PolarHBondContact O-N 2.94Å; V88-A91 PolarHBondContact O-N 3Å; E89-A91 VanDerWaalsContact C-N 3.29Å
92	W	95.2	Very high	91.3	Very high	168 Å²	168	63.3 Å²	63.3	64%	0.636	34%	0.342	S	S	*	.			trans	-78.9	-27.5	174.1	-64.2	-11.6	0	0	0	112.3	Y86 S87 Q90 P94	Y86-W92 HydrophobicContact CD1-CZ3 4.14Å; Y86-W92 HydrophobicContact CE1-CE3 4.43Å; Y86-W92 AromaticContact CE1-CH2 3.74Å; Y86-W92 HydrophobicContact CE1-CH2 3.74Å; Y86-W92 AromaticContact CE1-CZ3 3.58Å; Y86-W92 HydrophobicContact CE1-CZ3 3.58Å; S87-W92 PolarHBondContact O-N 3.05Å; Q90-W92 HydrophobicContact CB-CD2 3.82Å; Q90-W92 HydrophobicContact CB-CE3 4.4Å; Q90-W92 HydrophobicContact CB-CG 3.96Å; Q90-W92 HydrophobicContact CB-CZ2 4.25Å; Q90-W92 HydrophobicContact CG-CZ2 4.31Å; Q90-W92 VanDerWaalsContact O-CD1 3.27Å; Q90-W92 PolarHBondContact O-N 3.41Å; Q90-W92 VanDerWaalsContact O-N 3.15Å; W92-P94 WeakPolarHBondContact O-CD 3.37Å
93	T	90.2	Very high	90.6	Very high	27 Å²	27	63.1 Å²	63.1	17%	0.166	34%	0.34	C	S	.	.	S	Bend	trans	-91.3	115.4	174	-56.6	0	0	0	0	109.9	S87 V88 V97 L98	S87-T93 VanDerWaalsContact CB-OG1 3.22Å; S87-T93 WeakPolarHBondContact CB-OG1 3.33Å; S87-T93 PolarHBondContact O-N 2.99Å; V88-T93 HydrophobicContact CG2-CG2 4.44Å; T93-V97 HydrophobicContact CG2-CB 4.02Å; T93-V97 HydrophobicContact CG2-CG1 3.99Å; T93-L98 HydrophobicContact CG2-CB 4.49Å
94	P	88.5	Confident	89.4	Confident	72 Å²	72	59.2 Å²	59.2	47%	0.468	33%	0.328	S	S	.	.			trans	-60.8	144.9	175.2	-24.8	36.3	0	0	0	112.1	W92 N96 V97 L98	W92-P94 WeakPolarHBondContact O-CD 3.37Å; P94-N96 VanDerWaalsContact C-N 3.3Å; P94-N96 WeakPolarHBondContact CB-OD1 3.25Å; P94-N96 PolarHBondContact O-N 2.91Å; P94-V97 HydrophobicContact CB-CG2 4.18Å; P94-V97 HydrophobicContact CG-CG2 4.3Å; P94-V97 WeakPolarHBondContact O-CB 3.46Å; P94-V97 PolarHBondContact O-N 3.36Å; P94-L98 PolarHBondContact O-N 3.49Å
95	G	86.3	Confident	87.6	Confident	48 Å²	48	62.7 Å²	62.7	50%	0.495	34%	0.344	S	S	.	.	H	α-helix	trans	-57	-38.7	-175.4	0	0	0	0	0	114	V97 L98 L99	G95-V97 VanDerWaalsContact C-N 3.29Å; G95-V97 PolarHBondContact O-N 3.38Å; G95-L98 PolarHBondContact O-N 3.27Å; G95-L99 WeakPolarHBondContact O-CD1 3.33Å; G95-L99 WeakPolarHBondContact O-CG 3.23Å; G95-L99 PolarHBondContact O-N 3.07Å
96	N	86.5	Confident	85.6	Confident	100 Å²	100	72 Å²	72	54%	0.535	38%	0.38	S	S	.	.	H	α-helix	trans	-61.2	-35.3	175.7	62.9	-53	0	0	0	112.8	P94 L99 N100	P94-N96 VanDerWaalsContact C-N 3.3Å; P94-N96 WeakPolarHBondContact CB-OD1 3.25Å; P94-N96 PolarHBondContact O-N 2.91Å; N96-L99 PolarHBondContact O-N 3.38Å; N96-N100 WeakPolarHBondContact O-CB 3.37Å; N96-N100 PolarHBondContact O-N 2.94Å; N96-N100 PolarHBondContact O-ND2 3.45Å
97	V	89.1	Confident	84	Confident	65 Å²	65	74.8 Å²	74.8	39%	0.394	40%	0.395	S	S	.	.	H	α-helix	trans	-67	-47	176.7	178.3	0	0	0	0	109.8	T93 P94 G95 L99 N100 V101	T93-V97 HydrophobicContact CG2-CB 4.02Å; T93-V97 HydrophobicContact CG2-CG1 3.99Å; P94-V97 HydrophobicContact CB-CG2 4.18Å; P94-V97 HydrophobicContact CG-CG2 4.3Å; P94-V97 WeakPolarHBondContact O-CB 3.46Å; P94-V97 PolarHBondContact O-N 3.36Å; G95-V97 VanDerWaalsContact C-N 3.29Å; G95-V97 PolarHBondContact O-N 3.38Å; V97-L99 VanDerWaalsContact C-N 3.31Å; V97-L99 PolarHBondContact O-N 3.06Å; V97-N100 PolarHBondContact O-N 2.91Å; V97-V101 WeakPolarHBondContact O-CG2 3.34Å; V97-V101 PolarHBondContact O-N 3.02Å; V97-V101 VanDerWaalsContact O-N 3.09Å
98	L	87.6	Confident	82.6	Confident	21 Å²	21	82.1 Å²	82.1	11%	0.11	43%	0.426	C	S	.	.	H	α-helix	trans	-58.3	-44.3	176.7	-179.2	62.2	0	0	0	111.5	L47 V88 T93 P94 G95 V101 L102	L47-L98 HydrophobicContact CD1-CD2 4.06Å; V88-L98 HydrophobicContact CG1-CD2 3.96Å; V88-L98 HydrophobicContact CG2-CD1 4.09Å; V88-L98 HydrophobicContact CG2-CD2 4.14Å; T93-L98 HydrophobicContact CG2-CB 4.49Å; P94-L98 PolarHBondContact O-N 3.49Å; G95-L98 PolarHBondContact O-N 3.27Å; L98-V101 PolarHBondContact O-N 3.09Å; L98-L102 HydrophobicContact CD1-CD1 3.86Å; L98-L102 HydrophobicContact CD1-CG 4.09Å; L98-L102 HydrophobicContact CD2-CD1 4.49Å; L98-L102 HydrophobicContact CG-CD1 3.86Å; L98-L102 HydrophobicContact CG-CG 4.39Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 3.13Å
99	L	86.4	Confident	81.7	Confident	26 Å²	26	91 Å²	91	14%	0.136	46%	0.463	C	S	.	.	H	α-helix	trans	-67.5	-39.5	179.9	-63.8	164.2	0	0	0	112.8	Y51 G95 N96 V97 V101 L102 F103 G104	Y51-L99 HydrophobicContact CD1-CD2 3.77Å; Y51-L99 HydrophobicContact CD2-CD1 4.28Å; Y51-L99 HydrophobicContact CD2-CD2 3.46Å; Y51-L99 VanDerWaalsContact CD2-CD2 3.46Å; Y51-L99 HydrophobicContact CD2-CG 4.37Å; Y51-L99 HydrophobicContact CE1-CD1 3.78Å; Y51-L99 HydrophobicContact CE1-CD2 3.81Å; Y51-L99 HydrophobicContact CE1-CG 4.42Å; Y51-L99 HydrophobicContact CE2-CD1 3.4Å; Y51-L99 VanDerWaalsContact CE2-CD1 3.4Å; Y51-L99 HydrophobicContact CE2-CD2 3.5Å; Y51-L99 HydrophobicContact CE2-CG 3.94Å; Y51-L99 HydrophobicContact CG-CD2 3.62Å; Y51-L99 WeakPolarHBondContact OH-CD1 3.47Å; G95-L99 WeakPolarHBondContact O-CD1 3.33Å; G95-L99 WeakPolarHBondContact O-CG 3.23Å; G95-L99 PolarHBondContact O-N 3.07Å; N96-L99 PolarHBondContact O-N 3.38Å; V97-L99 VanDerWaalsContact C-N 3.31Å; V97-L99 PolarHBondContact O-N 3.06Å; L99-V101 PolarHBondContact O-N 2.95Å; L99-L102 PolarHBondContact O-N 3.28Å; L99-F103 HydrophobicContact CB-CD2 4.38Å; L99-F103 HydrophobicContact CD2-CD2 3.65Å; L99-F103 HydrophobicContact CD2-CE2 3.59Å; L99-F103 WeakPolarHBondContact O-CB 3.25Å; L99-F103 PolarHBondContact O-N 3.33Å; L99-G104 PolarHBondContact O-N 3.11Å
100	N	87	Confident	81	Confident	77 Å²	77	96.2 Å²	96.2	41%	0.412	49%	0.485	S	S	.	.	H	α-helix	trans	-61.7	-34.5	174.8	-75.2	-15.8	0	0	0	111.8	N96 V97 G104	N96-N100 WeakPolarHBondContact O-CB 3.37Å; N96-N100 PolarHBondContact O-N 2.94Å; N96-N100 PolarHBondContact O-ND2 3.45Å; V97-N100 PolarHBondContact O-N 2.91Å; N100-G104 WeakPolarHBondContact O-CA 3.35Å; N100-G104 PolarHBondContact O-N 3.04Å
101	V	85.3	Confident	80.4	Confident	82 Å²	82	93.6 Å²	93.6	50%	0.497	48%	0.475	S	S	.	.	H	α-helix	trans	-71.9	-46	174.6	172.6	0	0	0	0	111.4	Q61 V97 L98 L99	Q61-V101 PolarHBondContact NE2-O 3.08Å; V97-V101 WeakPolarHBondContact O-CG2 3.34Å; V97-V101 PolarHBondContact O-N 3.02Å; V97-V101 VanDerWaalsContact O-N 3.09Å; L98-V101 PolarHBondContact O-N 3.09Å; L99-V101 PolarHBondContact O-N 2.95Å
102	L	85.9	Confident	80.1	Confident	21 Å²	21	95.7 Å²	95.7	11%	0.11	48%	0.479	C	S	.	.	H	α-helix	trans	-77.3	-46.5	-173.1	-69.5	-179.3	0	0	0	113.6	L54 A57 I58 Q61 L98 L99	L54-L102 HydrophobicContact CD1-CD1 3.29Å; L54-L102 HydrophobicContact CG-CD1 4.24Å; A57-L102 HydrophobicContact CB-CB 4.09Å; I58-L102 HydrophobicContact CG1-CD1 4.19Å; I58-L102 HydrophobicContact CG1-CD2 3.86Å; Q61-L102 HydrophobicContact CG-CD2 3.89Å; L98-L102 HydrophobicContact CD1-CD1 3.86Å; L98-L102 HydrophobicContact CD1-CG 4.09Å; L98-L102 HydrophobicContact CD2-CD1 4.49Å; L98-L102 HydrophobicContact CG-CD1 3.86Å; L98-L102 HydrophobicContact CG-CG 4.39Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 3.13Å; L99-L102 PolarHBondContact O-N 3.28Å
103	F	81.4	Confident	79.7	Confident	54 Å²	54	92.3 Å²	92.3	24%	0.237	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-25.6	-171.6	-64	-75.8	0	0	0	113.1	K53 L54 A57 L99 E105	K53-F103 HydrophobicContact CB-CE1 3.86Å; K53-F103 HydrophobicContact CB-CZ 4.2Å; L54-F103 HydrophobicContact CD1-CE2 4.06Å; L54-F103 HydrophobicContact CD1-CZ 4.38Å; A57-F103 HydrophobicContact CB-CD1 4.1Å; A57-F103 HydrophobicContact CB-CE1 3.58Å; A57-F103 HydrophobicContact CB-CE2 4.39Å; A57-F103 HydrophobicContact CB-CZ 3.75Å; L99-F103 HydrophobicContact CB-CD2 4.38Å; L99-F103 HydrophobicContact CD2-CD2 3.65Å; L99-F103 HydrophobicContact CD2-CE2 3.59Å; L99-F103 WeakPolarHBondContact O-CB 3.25Å; L99-F103 PolarHBondContact O-N 3.33Å; F103-E105 HydrophobicContact CB-CG 3.97Å; F103-E105 PolarHBondContact O-N 3.14Å
104	G	71.3	Confident	79.6	Confident	21 Å²	21	98.1 Å²	98.1	22%	0.216	50%	0.497	C	S	.	.			trans	51.4	22.4	175.2	0	0	0	0	0	114.5	L99 N100 Y106 K107	L99-G104 PolarHBondContact O-N 3.11Å; N100-G104 WeakPolarHBondContact O-CA 3.35Å; N100-G104 PolarHBondContact O-N 3.04Å; G104-Y106 PolarHBondContact O-N 3.33Å; G104-K107 PolarHBondContact O-N 3.18Å
105	E	57.6	Low	79.5	Confident	150 Å²	150	99.5 Å²	99.5	70%	0.701	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22	-168.5	-77.5	174.6	173.3	0	0	112.6	F103	F103-E105 HydrophobicContact CB-CG 3.97Å; F103-E105 PolarHBondContact O-N 3.14Å
106	Y	52.8	Low	79.5	Confident	194 Å²	194	99.2 Å²	99.2	76%	0.761	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	0.6	178	-56.8	-75.3	0	0	0	114.9	G104 E108	G104-Y106 PolarHBondContact O-N 3.33Å; Y106-E108 PolarHBondContact O-N 2.82Å; Y106-E108 VanDerWaalsContact O-N 3.16Å
107	K	62.9	Low	79.5	Confident	167 Å²	167	98.1 Å²	98.1	73%	0.726	48%	0.48	S	S	*	.	S	Bend	trans	-78.8	101.5	167.6	-70.7	-174.3	-178	175.9	0	107	G104 K109	G104-K107 PolarHBondContact O-N 3.18Å; K107-K109 PolarHBondContact O-N 3.48Å
108	E	67	Low	79.5	Confident	182 Å²	182	101.7 Å²	101.7	85%	0.85	49%	0.49	S	S	*	.			trans	-43.2	119.6	168.5	-67	-176.1	168.3	0	0	108.4	Y106 K110	Y106-E108 PolarHBondContact O-N 2.82Å; Y106-E108 VanDerWaalsContact O-N 3.16Å; E108-K110 PolarHBondContact O-N 3.47Å
109	K	74.4	Confident	79.5	Confident	201 Å²	201	107 Å²	107	87%	0.874	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-57.1	116.2	-179.9	-73.9	-176.4	-178.3	176.3	0	106.2	K107 P111	K107-K109 PolarHBondContact O-N 3.48Å; K109-P111 VanDerWaalsContact O-N 3.17Å
110	K	79.2	Confident	79.4	Confident	173 Å²	173	108.2 Å²	108.2	75%	0.752	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-52.6	128.7	178.8	-72.3	-172.3	176.8	-173.2	0	107.9	E108 T112	E108-K110 PolarHBondContact O-N 3.47Å; K110-T112 PolarHBondContact O-N 3.2Å
111	P	82.4	Confident	79.3	Confident	32 Å²	32	108 Å²	108	21%	0.208	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-55.6	119.3	180	19	-29	0	0	0	109	K109 S116 K117 S120	K109-P111 VanDerWaalsContact O-N 3.17Å; P111-S116 WeakPolarHBondContact CA-OG 3.44Å; P111-S116 VanDerWaalsContact CB-CB 3.45Å; P111-S116 WeakPolarHBondContact CB-O 3.39Å; P111-S116 WeakPolarHBondContact CB-OG 3.44Å; P111-K117 HydrophobicContact CB-CG 3.91Å; P111-K117 HydrophobicContact CG-CG 4.07Å; P111-K117 WeakPolarHBondContact O-CE 3.46Å; P111-K117 WeakPolarHBondContact O-CG 3.46Å; P111-S120 WeakPolarHBondContact CG-OG 3.37Å
112	T	84	Confident	78.4	Confident	128 Å²	128	109.9 Å²	109.9	79%	0.785	55%	0.548	S	S	*	.			trans	-92.6	-36.7	-178.3	49.9	0	0	0	0	111.3	K110	K110-T112 PolarHBondContact O-N 3.2Å
113	D	88	Confident	77.2	Confident	98 Å²	98	119.2 Å²	119.2	52%	0.524	60%	0.598	S	S	.	*	S	Bend	trans	-80.5	148.9	-179.8	180	41.7	0	0	0	111.7	M115 S116 K117	D113-M115 VanDerWaalsContact C-N 3.31Å; D113-M115 PolarHBondContact O-N 2.97Å; D113-S116 PolarHBondContact N-OG 3Å; D113-S116 PolarHBondContact O-N 2.9Å; D113-S116 PolarHBondContact O-OG 3.43Å; D113-K117 WeakPolarHBondContact O-CG 3.44Å; D113-K117 PolarHBondContact O-N 3.11Å
114	F	87.5	Confident	77	Confident	149 Å²	149	122.5 Å²	122.5	65%	0.654	62%	0.616	S	S	*	*	H	α-helix	trans	-52.7	-47.8	-179.2	173.8	-93.1	0	0	0	111.9	S116 K117 F118	F114-S116 VanDerWaalsContact C-N 3.35Å; F114-S116 PolarHBondContact O-N 3.29Å; F114-K117 PolarHBondContact O-N 2.91Å; F114-F118 HydrophobicContact CE1-CB 4.42Å; F114-F118 WeakPolarHBondContact O-CB 3.24Å; F114-F118 PolarHBondContact O-N 3.34Å
115	M	87.1	Confident	77.3	Confident	100 Å²	100	127.8 Å²	127.8	49%	0.493	64%	0.637	S	S	.	*	H	α-helix	trans	-64.2	-42.3	-177.8	-172.7	59.5	67.6	0	0	111.4	D113 K117 F118 L119	D113-M115 VanDerWaalsContact C-N 3.31Å; D113-M115 PolarHBondContact O-N 2.97Å; M115-K117 VanDerWaalsContact C-N 3.32Å; M115-K117 PolarHBondContact O-N 3.34Å; M115-F118 PolarHBondContact O-N 3.44Å; M115-F118 HydrophobicContact SD-CD1 4.34Å; M115-L119 HydrophobicContact CG-CD1 4.09Å; M115-L119 HydrophobicContact CG-CG 4.42Å; M115-L119 WeakPolarHBondContact O-CB 3.39Å; M115-L119 VanDerWaalsContact O-CG 3.3Å; M115-L119 WeakPolarHBondContact O-CG 3.2Å; M115-L119 PolarHBondContact O-N 3.08Å; M115-L119 HydrophobicContact SD-CD1 4.39Å; M115-L119 HydrophobicContact SD-CG 4.26Å
116	S	85.9	Confident	78.4	Confident	42 Å²	42	126.6 Å²	126.6	29%	0.294	63%	0.633	S	S	.	*	H	α-helix	trans	-64	-37	177.8	66.1	0	0	0	0	112.4	P111 D113 F114 S120	P111-S116 WeakPolarHBondContact CA-OG 3.44Å; P111-S116 VanDerWaalsContact CB-CB 3.45Å; P111-S116 WeakPolarHBondContact CB-O 3.39Å; P111-S116 WeakPolarHBondContact CB-OG 3.44Å; D113-S116 PolarHBondContact N-OG 3Å; D113-S116 PolarHBondContact O-N 2.9Å; D113-S116 PolarHBondContact O-OG 3.43Å; F114-S116 VanDerWaalsContact C-N 3.35Å; F114-S116 PolarHBondContact O-N 3.29Å; S116-S120 WeakPolarHBondContact O-CB 3.5Å; S116-S120 PolarHBondContact O-N 3.34Å; S116-S120 VanDerWaalsContact O-N 3.13Å; S116-S120 PolarHBondContact O-OG 3.22Å
117	K	87.5	Confident	79.9	Confident	78 Å²	78	122.6 Å²	122.6	34%	0.339	63%	0.626	S	S	.	*	H	α-helix	trans	-68.2	-48.8	175.2	-71.4	-179	179.8	-173.6	0	111.2	P111 D113 F114 M115 L119 S120 G121 Q122	P111-K117 HydrophobicContact CB-CG 3.91Å; P111-K117 HydrophobicContact CG-CG 4.07Å; P111-K117 WeakPolarHBondContact O-CE 3.46Å; P111-K117 WeakPolarHBondContact O-CG 3.46Å; D113-K117 WeakPolarHBondContact O-CG 3.44Å; D113-K117 PolarHBondContact O-N 3.11Å; F114-K117 PolarHBondContact O-N 2.91Å; M115-K117 VanDerWaalsContact C-N 3.32Å; M115-K117 PolarHBondContact O-N 3.34Å; K117-L119 PolarHBondContact O-N 2.65Å; K117-S120 PolarHBondContact O-N 3.4Å; K117-S120 VanDerWaalsContact O-N 3.1Å; K117-S120 PolarHBondContact O-OG 3.38Å; K117-G121 PolarHBondContact O-N 3.27Å; K117-Q122 PolarHBondContact O-N 2.99Å
118	F	88	Confident	81	Confident	140 Å²	140	119.8 Å²	119.8	61%	0.614	62%	0.619	S	S	*	*	H	α-helix	trans	-54.5	-48.7	177.2	179.4	-100	0	0	0	111.8	F114 M115 S120 G121	F114-F118 HydrophobicContact CE1-CB 4.42Å; F114-F118 WeakPolarHBondContact O-CB 3.24Å; F114-F118 PolarHBondContact O-N 3.34Å; M115-F118 PolarHBondContact O-N 3.44Å; M115-F118 HydrophobicContact SD-CD1 4.34Å; F118-S120 VanDerWaalsContact C-N 3.34Å; F118-S120 PolarHBondContact O-N 2.93Å; F118-G121 PolarHBondContact O-N 3.33Å
119	L	88.6	Confident	81.9	Confident	132 Å²	132	115.7 Å²	115.7	69%	0.691	60%	0.604	S	S	*	*	H	α-helix	trans	-67.3	-31.7	178.3	-68.3	175.8	0	0	0	113.2	M115 K117 G121	M115-L119 HydrophobicContact CG-CD1 4.09Å; M115-L119 HydrophobicContact CG-CG 4.42Å; M115-L119 WeakPolarHBondContact O-CB 3.39Å; M115-L119 VanDerWaalsContact O-CG 3.3Å; M115-L119 WeakPolarHBondContact O-CG 3.2Å; M115-L119 PolarHBondContact O-N 3.08Å; M115-L119 HydrophobicContact SD-CD1 4.39Å; M115-L119 HydrophobicContact SD-CG 4.26Å; K117-L119 PolarHBondContact O-N 2.65Å; L119-G121 PolarHBondContact O-N 3.15Å
120	S	84.5	Confident	82.5	Confident	52 Å²	52	109.6 Å²	109.6	36%	0.364	59%	0.585	S	S	.	*	H	α-helix	trans	-76	-9.3	176.9	73	0	0	0	0	114.1	P111 S116 K117 F118 Q122	P111-S120 WeakPolarHBondContact CG-OG 3.37Å; S116-S120 WeakPolarHBondContact O-CB 3.5Å; S116-S120 PolarHBondContact O-N 3.34Å; S116-S120 VanDerWaalsContact O-N 3.13Å; S116-S120 PolarHBondContact O-OG 3.22Å; K117-S120 PolarHBondContact O-N 3.4Å; K117-S120 VanDerWaalsContact O-N 3.1Å; K117-S120 PolarHBondContact O-OG 3.38Å; F118-S120 VanDerWaalsContact C-N 3.34Å; F118-S120 PolarHBondContact O-N 2.93Å; S120-Q122 PolarHBondContact O-N 3.13Å; S120-Q122 PolarHBondContact OG-N 3.35Å
121	G	83.2	Confident	82.7	Confident	72 Å²	72	104.7 Å²	104.7	74%	0.742	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.7	16.1	-175.2	0	0	0	0	0	114.1	K117 F118 L119	K117-G121 PolarHBondContact O-N 3.27Å; F118-G121 PolarHBondContact O-N 3.33Å; L119-G121 PolarHBondContact O-N 3.15Å
122	Q	68.2	Low	82.8	Confident	122 Å²	122	110.8 Å²	110.8	57%	0.57	60%	0.602	S	S	*	*			trans	-108.3	130	179.7	-60	-177.3	9.4	0	0	109.9	K117 S120	K117-Q122 PolarHBondContact O-N 2.99Å; S120-Q122 PolarHBondContact O-N 3.13Å; S120-Q122 PolarHBondContact OG-N 3.35Å
123	N	60.8	Low	82.7	Confident	216 Å²	216	109.2 Å²	109.2	100%	1.155	59%	0.585	S	S	*	*			trans	-68.2	0	175.8	-67.4	-33	0	0	0	112.2

Retrieved 123 of 123 residues in 247.8 ms (Link to these results)

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